5,6-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one

• ChemBase ID: 186380
• Molecular Formular: C19H14O3
• Molecular Mass: 290.31266
• Monoisotopic Mass: 290.09429431
• SMILES: c1(c2c(oc(=O)c1C)cc1c(c(co1)c1ccccc1)c2)C
• Canonical SMILES: O=c1oc2cc3occ(c3cc2c(c1C)C)c1ccccc1
• InChI: InChI=1S/C19H14O3/c1-11-12(2)19(20)22-18-9-17-15(8-14(11)18)16(10-21-17)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: BTNWVWLYYKVGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-3-phenyl-7H-furo[3,2-g]chromen-7-one
• IUPAC Traditional name: 5,6-dimethyl-3-phenylfuro[3,2-g]chromen-7-one

Database IDs

• PubChem SID: 164242290
• PubChem CID: 707708

CALCULATED PROPERTIES

• Log P: 4.2846537
• Molar Refractivity: 84.165 cm^3
• Polarizability: 34.78855 Å^3
• Polar Surface Area: 39.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2846537
• LogD (pH = 7.4): 4.2846537

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds