| Phytochemical Name : Ethyl 4-methylbenzoate |
| PCNDIDE0081 |
| Pubchem CID : 66743 |
| Molecular formula: C10H12O2 |
| Canonical SMILES : CCOC(=O)C1=CC=C(C=C1)C |
Synonymes : Ethyl 4-methylbenzoate|94-08-6|Ethyl p-toluate|Ethyl p-methylbenzoate|Benzoic acid, 4-methyl-, ethyl ester|4-Methylbenzoic Acid Ethyl Ester|p-Toluic acid ethyl ester|4-methyl-benzoic acid ethyl ester|UNII-XUF0SQ8L2J|XUF0SQ8L2J|DTXSID5048211|EINECS 202-301-4|MFCD00009117|NSC-24767|AI3-31106|Ethyl4-methylbenzoate|Ethyl 4-methylbenzoate; Ethyl p-methylbenzoate; Ethyl p-toluate; NSC 24767|ethyl-p-toluat|ethyl p - toluate|ETHYL PARA TOLUATE|4-Methylbenzoic acid ethyl|p-Toluic acid, ethyl ester|p-Toluylic acid, ethyl ester|SCHEMBL235800|Ethyl 4-methylbenzoate, 99%|CHEMBL3186464|DTXCID3028186|NWPWRAWAUYIELB-UHFFFAOYSA-|NSC24767|Tox21_303476|AC7906|NSC 24767|AKOS005198691|CS-W020602|DS-4791|CAS-94-08-6|NCGC00257366-01|SY013720|AM20041438|FT-0626279|T0295|A844803|W-100213|Q27294001|Z54848414|F0001-2259 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.170 |
| Log Po/w (XLOGP3) : 2.860 |
| Log Po/w (WLOGP) : 2.170 |
| Log Po/w (MLOGP) : 2.550 |
| Log Po/w (SILICOS-IT) : 2.510 |
| Consensus Log Po/w : 2.450 |