4-(1-benzofuran-2-yl)-2H,6H,7H,8H-cyclopenta[g]chromen-2-one

• ChemBase ID: 201500
• Molecular Formular: C20H14O3
• Molecular Mass: 302.32336
• Monoisotopic Mass: 302.09429431
• SMILES: c1(c2c3c(oc(=O)c2)cc2c(c3)CCC2)oc2c(c1)cccc2
• Canonical SMILES: O=c1oc2cc3CCCc3cc2c(c1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C20H14O3/c21-20-11-16(18-10-14-4-1-2-7-17(14)22-18)15-8-12-5-3-6-13(12)9-19(15)23-20/h1-2,4,7-11H,3,5-6H2
• InChIKey: HMAUNOMFHMCJQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)-2H,6H,7H,8H-cyclopenta[g]chromen-2-one
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)-6H,7H,8H-cyclopenta[g]chromen-2-one

Database IDs

• PubChem SID: 164257410
• PubChem CID: 908868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.303368
• LogD (pH = 7.4): 4.303368
• Log P: 4.303368
• Molar Refractivity: 96.7011 cm^3
• Polarizability: 34.317696 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds