3,8-dimethoxy-6H-benzo[c]chromen-6-one

• ChemBase ID: 190375
• Molecular Formular: C15H12O4
• Molecular Mass: 256.25338
• Monoisotopic Mass: 256.07355886
• SMILES: c1(=O)c2c(c3c(o1)cc(cc3)OC)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)c1c2ccc(c1)OC
• InChI: InChI=1S/C15H12O4/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19-15(16)13(11)7-9/h3-8H,1-2H3
• InChIKey: FTCCLANRGJOUKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-dimethoxy-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3,8-dimethoxybenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164246285
• PubChem CID: 800988

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6099849
• LogD (pH = 7.4): 2.6099849
• Log P: 2.6099849
• Molar Refractivity: 69.8655 cm^3
• Polarizability: 28.137169 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds