3-[(4-ethenylphenyl)methoxy]-8-methoxy-6H-benzo[c]chromen-6-one

• ChemBase ID: 190610
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1ccc(C=C)cc1)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C23H18O4/c1-3-15-4-6-16(7-5-15)14-26-18-9-11-20-19-10-8-17(25-2)12-21(19)23(24)27-22(20)13-18/h3-13H,1,14H2,2H3
• InChIKey: ZVBZGVGDXGRDKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-ethenylphenyl)methoxy]-8-methoxy-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-[(4-ethenylphenyl)methoxy]-8-methoxybenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164246520
• PubChem CID: 1346931

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0711603
• LogD (pH = 7.4): 5.0711603
• Log P: 5.0711603
• Molar Refractivity: 104.1644 cm^3
• Polarizability: 41.27598 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds