8-(4-methoxybenzoyl)-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one

• ChemBase ID: 189452
• Molecular Formular: C21H16O5
• Molecular Mass: 348.34874
• Monoisotopic Mass: 348.09977361
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)C)C(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1oc2c(c1C)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C21H16O5/c1-11-10-17(22)26-21-15(11)8-9-16-18(21)12(2)20(25-16)19(23)13-4-6-14(24-3)7-5-13/h4-10H,1-3H3
• InChIKey: DGVYQOPTGWTJJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-methoxybenzoyl)-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one
• IUPAC Traditional name: 8-(4-methoxybenzoyl)-4,9-dimethylfuro[2,3-h]chromen-2-one

Database IDs

• PubChem SID: 164245362
• PubChem CID: 585675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9769819
• LogD (pH = 7.4): 3.9769819
• Log P: 3.9769819
• Molar Refractivity: 96.6291 cm^3
• Polarizability: 37.85443 Å^3
• Polar Surface Area: 65.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds