2-methoxy-4-(prop-2-en-1-yl)phenyl 2-phenylacetate

• ChemBase ID: 107579
• Molecular Formular: C18H18O3
• Molecular Mass: 282.33372
• Monoisotopic Mass: 282.12559444
• SMILES: COc1cc(CC=C)ccc1OC(=O)Cc1ccccc1
• Canonical SMILES: C=CCc1ccc(c(c1)OC)OC(=O)Cc1ccccc1
• InChI: InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
• InChIKey: JEEUACXJJPNYOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(prop-2-en-1-yl)phenyl 2-phenylacetate
• IUPAC Traditional name: 2-methoxy-4-(prop-2-en-1-yl)phenyl 2-phenylacetate
• Synonyms: EUGENYL PHENYLACETATE

Database IDs

• CAS Number: 10402-33-2
• EC Number: 233-868-6
• PubChem SID: 162093665
• PubChem CID: 25238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3557463
• LogD (pH = 7.4): 4.3557463
• Log P: 4.3557463
• Molar Refractivity: 82.6628 cm^3
• Polarizability: 32.155216 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: AJ2465000

DETAILS

MP Biomedicals - 05204234

MP Biomedicals Rare Chemical collection