3-(benzyloxy)-6H-benzo[c]chromen-6-one

• ChemBase ID: 180944
• Molecular Formular: C20H14O3
• Molecular Mass: 302.32336
• Monoisotopic Mass: 302.09429431
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OCc1ccccc1
• Canonical SMILES: O=c1oc2cc(OCc3ccccc3)ccc2c2c1cccc2
• InChI: InChI=1S/C20H14O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-12H,13H2
• InChIKey: VABIAROAZJNLBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-(benzyloxy)benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164236854
• PubChem CID: 2787564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4921293
• LogD (pH = 7.4): 4.4921293
• Log P: 4.4921293
• Molar Refractivity: 88.0149 cm^3
• Polarizability: 35.259735 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds