7-(benzyloxy)-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

• ChemBase ID: 183516
• Molecular Formular: C19H16O3
• Molecular Mass: 292.32854
• Monoisotopic Mass: 292.10994437
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1ccccc1)cc3)CCC2
• Canonical SMILES: O=c1oc2cc(OCc3ccccc3)ccc2c2c1CCC2
• InChI: InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
• InChIKey: XQVDQBUDJDSCEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-1H,2H,3H-cyclopenta[c]chromen-4-one

Database IDs

• PubChem SID: 164239426
• PubChem CID: 561354

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0259495
• LogD (pH = 7.4): 4.0259495
• Log P: 4.0259495
• Molar Refractivity: 84.0623 cm^3
• Polarizability: 32.602264 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds