| 2D Structure | |
| CID | 7601 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , LOC116160065 |
| IUPAC Name | 2-phenylethyl 2-phenylacetate |
| InChI | InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2 |
| InChI Key | ZOZIRNMDEZKZHM-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2 |
| Isomeric SMILES | C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2 |
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.30 |
| synonyms | ['Phenethyl phenylacetate', '2-Phenylethyl phenylacetate', 'Benzeneacetic acid, 2-phenylethyl ester', 'Phenylethyl phenylacetate', '2-phenylethyl 2-phenylacetate', 'Phenylacetic acid, phenethyl ester', 'ACETIC ACID, PHENYL-, PHENETHYL ESTER', 'Benzylcarbinyl alpha-toluate', 'Phenethyl alpha-toluate', 'Benzylcarbinyl phenylacetate', '2-Phenylethyl alpha-toluate', '2-Phenylethyl benzeneacetate', 'FEMA No. 2866', 'NSC 6676', 'AI3-20106', '.beta.-Phenylethyl phenylacetate', 'Phenethyl .alpha.-toluate', 'EINECS 203-013-1', 'UNII-5J5OJ7GH15', 'beta-Phenylethyl phenylacetate', 'Benzylcarbinyl .alpha.-toluate', '2-Phenylethyl .alpha.-toluate', 'BRN 2214383', '5J5OJ7GH15', 'DTXSID0044494', 'NSC-6676', 'Phenylacetic acid, 2-phenylethyl ester', 'Benzyl carbinyl phenylacetate', 'DTXCID8024494', 'FEMA 2866', 'EC 203-013-1', '3-09-00-02183 (Beilstein Handbook Reference)', 'PHENETHYL PHENYLACETATE [FCC]', 'PHENETHYL PHENYLACETATE [FHFI]', 'Phenethyl phenylacetic acid', '2-Phenylethyl 2-phenylacetic acid', '203-013-1', 'alpha-toluate', 'zozirnmdezkzhm-uhfffaoysa-n', '102-20-5', 'phenethyl 2-phenylacetate', 'Phenylacetic Acid 2-Phenylethyl Ester', 'alpha -toluate', 'Phenethyl alpha -toluate', 'WLN: R2OV1R', '2-Phenylethyl alpha -toluate', 'Benzylcarbinyl alpha -toluate', 'SCHEMBL245747', 'beta -phenylethyl phenylacetate', 'CHEMBL3183441', 'NSC6676', 'CHEBI:173735', 'Tox21_300689', 'AKOS015915025', 'FP55040', 'NCGC00248140-01', 'NCGC00254597-01', 'AC-10231', 'AS-64043', 'CAS-102-20-5', 'Phenethyl phenylacetate, >=98%, FCC, FG', 'NS00003525', 'P0126', 'A50727', 'Q27262386'] |
From Pubchem