EUGENOL Next Previous

ChEMBL ID CHEMBL42710
PubChem CID 3314
DrugBank Accession Number DB09086
ClinicalTrials EUGENOL
Molecular Formula C10H12O2
Inchikey RRAFCDWBNXTKKO-UHFFFAOYSA-N

Smiles
COc1cc(CC=C)ccc1O

Synonyms
eugenol, 4-Allyl-2-methoxyphenol, 4-Allylguaiacol, 97-53-0, Eugenic acid, Allylguaiacol, Caryophyllic acid, p-Allylguaiacol, p-Eugenol, 2-Methoxy-4-prop-2-enylphenol, 2-Methoxy-4-allylphenol, Engenol, 2-Methoxy-4-(2-propenyl)phenol, 4-Allylcatechol-2-methyl ether, 1,3,4-Eugenol, 1-Hydroxy-2-methoxy-4-allylbenzene, 2-Methoxy-1-hydroxy-4-allylbenzene, 4-Allyl-1-hydroxy-2-methoxybenzene, Synthetic eugenol, 2-Hydroxy-5-allylanisole, 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene, 4-Hydroxy-3-methoxyallylbenzene, Phenol, 2-methoxy-4-(2-propenyl)-, 5-Allylguaiacol, 4-Hydroxy-3-methoxy-1-allylbenzene, Eugenol (natural), 1-Allyl-3-methoxy-4-hydroxybenzene, Phenol, 4-allyl-2-methoxy-, 2-Methoxy-4-(2-propen-1-yl)phenol, 4-Allylcatechol 2-methyl ether, 2-methoxy-4-(prop-2-en-1-yl)phenol, NCI-C50453, 1-allyl-4-hydroxy-3-methoxybenzene, Eugenol [USAN], FEMA No. 2467, CHEBI:4917, 2-Methoxy-4-(3-propenyl)phenol, Caswell No. 456BC, FEMA Number 2467, 2-Metoksy-4-allilofenol, FA 100, 4-allyl-2-methoxy-Phenol, NSC 209525, CCRIS 306, CHEMBL42710, Phenol, 2-methoxy-4-(2-propen-1-yl)-, UNII-3T8H1794QW, HSDB 210, RRAFCDWBNXTKKO-UHFFFAOYSA-N, 2-Metoksy-4-allilofenol [Polish], EINECS 202-589-1, Eugenol (USP), Eugenol [USP], MFCD00008654, 4-Allyl-1-Hydroxy-2-Methoxy Benzene, EPA Pesticide Chemical Code 102701, BRN 1366759, NCGC00091449-05, AK307784, AI3-00086, DSSTox_CID_617, DSSTox_RID_75693, DSSTox_GSID_20617, Q-201105, WLN: 1U2R DQ CO1, 2-Methoxy-4-[2-propenyl]phenol, CAS-97-53-0, bioxeda, dentogum, Eugenolum, Dentek Eugenol, Eugenol Special, Zonalin Liquid, 4-Allylguaicol, Caryophyllic ac id, Red Cross Toothache, 4-allyl-2methoxyphenol, 3s0e, AC1L1FNK, Spectrum2_001264, Spectrum3_000646, Spectrum4_001783, Spectrum5_000425, ACMC-1AOH6, bmse010053, Epitope ID:114091, AC1Q7AE5, Eugenol Toothache Medication, SCHEMBL20361, BSPBio_002251, E51791_ALDRICH, KBioGR_002327, KSC486Q8H, MLS000028901, BIDD:ER0696, Bio-0581, DivK1c_000692, SPECTRUM1500296, W246700_ALDRICH, W246719_ALDRICH, SPBio_001228, 35995_RIEDEL, AC1Q46B0, GTPL2425, ZINC1411, DTXSID9020617, 35995_FLUKA, 46100_FLUKA, CTK3I6883, HMDB05809, HMS502C14, KBio1_000692, KBio3_001471, NSC8895, 4-(2-Propenyl)-2-methoxyphenol, NINDS_000692, 3T8H1794QW, HMS1920O08, HMS2091F09, Pharmakon1600-01500296, BB_NC-00470, NSC-8895, 1-hydroxy-4-allyl-2-methoxybenzene, Tox21_111134, Tox21_202040, Tox21_300105, ANW-40868, AR-1J0704, BBL027721, BDBM50164168, CCG-38827, DNC010687, NSC209525, NSC757030, SBB012362, STL371304, ZINC00001411, 4 -allyl-1-hydroxy-2-methoxybenzene, 3-(3-methoxy-4-hydroxyphenyl)propene, AKOS000121354, Tox21_111134_1, DB09086, FCH2252865, FS-2702, LS-2027, NSC-209525, NSC-757030, SDCCGMLS-0066578.P001, 1-hydroxy-2-methoxy-4-propenylbenze ne, IDI1_000692, NCGC00091449-01, NCGC00091449-02, NCGC00091449-03, NCGC00091449-04, NCGC00091449-06, NCGC00091449-07, NCGC00091449-08, NCGC00091449-10, NCGC00253915-01, NCGC00259589-01, BBV-75779596, BC682398, BT000195, CJ-00049, K753, KB-51837, OR042429, OR381701, SMR000059114, ST069318, BB0295695, TR-038621, A0232, FT-0615974, N1805, Orajel Naturals Fast Relief for Teething Pain, C10453, D04117, AB00051992_02, I01-7260, I01-8770, BRD-K32977963-001-01-9, 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol, InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H, Walgreens Natural Eugenol/toothache Medication With Cotton Pellets and Tweezers, EOL, Eugenol

Libraries
O'Brien

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 164.2
Rotatable Bonds 3
Acidic pKa (ACD) 10.29
Basic pKa (ACD) -
LogP (ACD) 2.4
LogD (ACD) 2.4
ALogP 2.58
Loading...