| Phytochemical Name : Ethyl vanillate |
| PCNDIDE0098 |
| Pubchem CID : 12038 |
| Molecular formula: C10H12O4 |
| Canonical SMILES : CCOC(=O)C1=CC(=C(C=C1)O)OC |
Synonymes : Ethyl vanillate|617-05-0|Ethyl 4-hydroxy-3-methoxybenzoate|4-Hydroxy-3-methoxybenzoic acid ethyl ester|VANILLIC ACID, ETHYL ESTER|Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester|3-Methoxy-4-hydroxybenzoic acid, ethyl ester|m-Anisic acid, 4-hydroxy-, ethyl ester|NSC 8513|EINECS 210-503-9|BRN 2100025|UNII-V38JK4Z93O|AI3-06151|V38JK4Z93O|CHEMBL4206971|NSC-8513|MFCD00017269|3-10-00-01413 (Beilstein Handbook Reference)|ethylvanillate|Vanilicacidethylester; 97%|ethyl 4-hydroxy-3-methoxy-benzoate|Vanillic acid ethyl|Vanilic acid ethyl ester|Caffeoyl Efhylesfer,(S)|Vanillic Acid Ethyl Ester|m-Anisic acid, ethyl ester|WLN: 2OVR DQ CO1|SCHEMBL155638|DTXSID2060670|ethyl 4-hydoxy-3-methoxybenzoate|NSC8513|CHEBI:181310|ethyl 3-methoxy-4-hydroxybenzoate|HY-B1643|BDBM50450894|s3993|AKOS006227599|CCG-266551|AS-14750|ETHYL-4-HYDROXY-3-METHOXYBENZOATE|SY015808|LS-161396|CS-0013594|FT-0618640|V0051|Ethyl vanillate, analytical reference material|F14083|W-105106|Q27291476 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.980 |
| Log Po/w (XLOGP3) : 2.120 |
| Log Po/w (WLOGP) : 1.580 |
| Log Po/w (MLOGP) : 1.360 |
| Log Po/w (SILICOS-IT) : 1.590 |
| Consensus Log Po/w : 1.730 |