2-methoxy-4-[(E)-2-phenylethenyl]phenyl propanoate

• ChemBase ID: 189594
• Molecular Formular: C18H18O3
• Molecular Mass: 282.33372
• Monoisotopic Mass: 282.12559444
• SMILES: c1(OC(=O)CC)c(cc(/C=C/c2ccccc2)cc1)OC
• Canonical SMILES: CCC(=O)Oc1ccc(cc1OC)/C=C/c1ccccc1
• InChI: InChI=1S/C18H18O3/c1-3-18(19)21-16-12-11-15(13-17(16)20-2)10-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/b10-9+
• InChIKey: LWOKFLOBPJQEBS-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[(E)-2-phenylethenyl]phenyl propanoate
• IUPAC Traditional name: 2-methoxy-4-[(E)-2-phenylethenyl]phenyl propanoate

Database IDs

• PubChem SID: 164245504
• PubChem CID: 718785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4632125
• LogD (pH = 7.4): 4.4632125
• Log P: 4.4632125
• Molar Refractivity: 83.7353 cm^3
• Polarizability: 32.30709 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds