8-benzoyl-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one

• ChemBase ID: 189291
• Molecular Formular: C25H16O4
• Molecular Mass: 380.39214
• Monoisotopic Mass: 380.10485899
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)c1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: O=c1cc(C)c2c(o1)c1c(cc2)oc(c1c1ccccc1)C(=O)c1ccccc1
• InChI: InChI=1S/C25H16O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14H,1H3
• InChIKey: YGYCVCALMWOWEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzoyl-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one
• IUPAC Traditional name: 8-benzoyl-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

Database IDs

• PubChem SID: 164245201
• PubChem CID: 1794747

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.268457
• LogD (pH = 7.4): 5.268457
• Log P: 5.268457
• Molar Refractivity: 110.2609 cm^3
• Polarizability: 44.60771 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds