5-butyl-2,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 188014
• Molecular Formular: C23H22O3
• Molecular Mass: 346.41898
• Monoisotopic Mass: 346.15689456
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(c2C)oc(=O)cc1CCCC
• Canonical SMILES: CCCCc1cc(=O)oc2c1cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C23H22O3/c1-4-5-9-17-12-20(24)26-22-14(2)23-19(13-18(17)22)21(15(3)25-23)16-10-7-6-8-11-16/h6-8,10-13H,4-5,9H2,1-3H3
• InChIKey: UFKGXVCINCJZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-butyl-2,9-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5-butyl-2,9-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164243924
• PubChem CID: 1774015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9357915
• LogD (pH = 7.4): 5.9357915
• Log P: 5.9357915
• Molar Refractivity: 103.8018 cm^3
• Polarizability: 42.012264 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds