3-(4-bromophenyl)-5-(4-methoxyphenyl)-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 191568
• Molecular Formular: C24H15BrO4
• Molecular Mass: 447.2775
• Monoisotopic Mass: 446.01537096
• SMILES: c1(c2c(oc(=O)c1)cc1c(c(co1)c1ccc(cc1)Br)c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1cc1c(c2)occ1c1ccc(cc1)Br
• InChI: InChI=1S/C24H15BrO4/c1-27-17-8-4-14(5-9-17)18-11-24(26)29-23-12-22-20(10-19(18)23)21(13-28-22)15-2-6-16(25)7-3-15/h2-13H,1H3
• InChIKey: NZCXJNRHRYAPCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-bromophenyl)-5-(4-methoxyphenyl)-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 3-(4-bromophenyl)-5-(4-methoxyphenyl)furo[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164247478
• PubChem CID: 4299677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6339884
• LogD (pH = 7.4): 5.6339884
• Log P: 5.6339884
• Molar Refractivity: 123.1646 cm^3
• Polarizability: 45.772373 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds