2-methoxy-4-[(E)-2-phenylethenyl]phenyl 2,6-dimethoxybenzoate

• ChemBase ID: 189577
• Molecular Formular: C24H22O5
• Molecular Mass: 390.42848
• Monoisotopic Mass: 390.1467238
• SMILES: C(=O)(c1c(OC)cccc1OC)Oc1c(cc(/C=C/c2ccccc2)cc1)OC
• Canonical SMILES: COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1c(OC)cccc1OC
• InChI: InChI=1S/C24H22O5/c1-26-20-10-7-11-21(27-2)23(20)24(25)29-19-15-14-18(16-22(19)28-3)13-12-17-8-5-4-6-9-17/h4-16H,1-3H3/b13-12+
• InChIKey: HQOONVZOGKECMN-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[(E)-2-phenylethenyl]phenyl 2,6-dimethoxybenzoate
• IUPAC Traditional name: 2-methoxy-4-[(E)-2-phenylethenyl]phenyl 2,6-dimethoxybenzoate

Database IDs

• PubChem SID: 164245487
• PubChem CID: 991107

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.501508
• LogD (pH = 7.4): 5.501508
• Log P: 5.501508
• Molar Refractivity: 112.7053 cm^3
• Polarizability: 43.218616 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds