1,3-bis(benzyloxy)-6H-benzo[c]chromen-6-one

• ChemBase ID: 181810
• Molecular Formular: C27H20O4
• Molecular Mass: 408.4453
• Monoisotopic Mass: 408.13615912
• SMILES: c12c3c(c(=O)oc1cc(cc2OCc1ccccc1)OCc1ccccc1)cccc3
• Canonical SMILES: O=c1oc2cc(OCc3ccccc3)cc(c2c2c1cccc2)OCc1ccccc1
• InChI: InChI=1S/C27H20O4/c28-27-23-14-8-7-13-22(23)26-24(30-18-20-11-5-2-6-12-20)15-21(16-25(26)31-27)29-17-19-9-3-1-4-10-19/h1-16H,17-18H2
• InChIKey: ZWLDGWJZJAKQSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(benzyloxy)-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 1,3-bis(benzyloxy)benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164237720
• PubChem CID: 3833773

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.0589314
• LogD (pH = 7.4): 6.0589314
• Log P: 6.0589314
• Molar Refractivity: 119.0907 cm^3
• Polarizability: 47.375885 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds