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

• ChemBase ID: 189380
• Molecular Formular: C26H18O4
• Molecular Mass: 394.41872
• Monoisotopic Mass: 394.12050906
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)c1ccccc1)C(=O)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)c1oc2c(c1c1ccccc1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C26H18O4/c1-15-8-10-18(11-9-15)24(28)26-22(17-6-4-3-5-7-17)23-20(29-26)13-12-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3
• InChIKey: LEXZKYBZXYCNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245290
• PubChem CID: 1795344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7818785
• LogD (pH = 7.4): 5.7818785
• Log P: 5.7818785
• Molar Refractivity: 115.3021 cm^3
• Polarizability: 46.373817 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds