8-benzyl-4,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one

• ChemBase ID: 194833
• Molecular Formular: C30H22O3
• Molecular Mass: 430.49388
• Monoisotopic Mass: 430.15689456
• SMILES: c1(c2c3c(c(co3)c3cc4c(cc3)cccc4)c(cc2oc(=O)c1Cc1ccccc1)C)C
• Canonical SMILES: Cc1cc2oc(=O)c(c(c2c2c1c(co2)c1ccc2c(c1)cccc2)C)Cc1ccccc1
• InChI: InChI=1S/C30H22O3/c1-18-14-26-28(19(2)24(30(31)33-26)15-20-8-4-3-5-9-20)29-27(18)25(17-32-29)23-13-12-21-10-6-7-11-22(21)16-23/h3-14,16-17H,15H2,1-2H3
• InChIKey: JTXMQTCCCJQBSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-4,9-dimethyl-3-(naphthalen-2-yl)-7H-furo[2,3-f]chromen-7-one
• IUPAC Traditional name: 8-benzyl-4,9-dimethyl-3-(naphthalen-2-yl)furo[2,3-f]chromen-7-one

Database IDs

• PubChem SID: 164250743
• PubChem CID: 1798321

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.3659244
• LogD (pH = 7.4): 7.3659244
• Log P: 7.3659244
• Molar Refractivity: 130.3524 cm^3
• Polarizability: 53.814587 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds