4-oxo-3-phenyl-4H-chromen-7-yl (2E)-3-phenylprop-2-enoate

• ChemBase ID: 195617
• Molecular Formular: C24H16O4
• Molecular Mass: 368.38144
• Monoisotopic Mass: 368.10485899
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)/C=C/c1ccccc1)cc2)c1ccccc1
• Canonical SMILES: O=C(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)/C=C/c1ccccc1
• InChI: InChI=1S/C24H16O4/c25-23(14-11-17-7-3-1-4-8-17)28-19-12-13-20-22(15-19)27-16-21(24(20)26)18-9-5-2-6-10-18/h1-16H/b14-11+
• InChIKey: OABHDNWMBXCOOQ-SDNWHVSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-oxo-3-phenyl-4H-chromen-7-yl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: 4-oxo-3-phenylchromen-7-yl (2E)-3-phenylprop-2-enoate

Database IDs

• PubChem SID: 164251527
• PubChem CID: 1569496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.537595
• LogD (pH = 7.4): 5.537595
• Log P: 5.537595
• Molar Refractivity: 107.2888 cm^3
• Polarizability: 40.968548 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds