3-methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one

• ChemBase ID: 127969
• Molecular Formular: C18H12O4
• Molecular Mass: 292.28548
• Monoisotopic Mass: 292.07355886
• SMILES: c1(c(oc2c(c1=O)ccc1c2cco1)c1ccccc1)OC
• Canonical SMILES: COc1c(oc2c(c1=O)ccc1c2cco1)c1ccccc1
• InChI: InChI=1S/C18H12O4/c1-20-18-15(19)13-7-8-14-12(9-10-21-14)17(13)22-16(18)11-5-3-2-4-6-11/h2-10H,1H3
• InChIKey: LKPQNZRGGNOPPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-phenyl-4H-furo[2,3-h]chromen-4-one
• IUPAC Traditional name: karanjin
• Synonyms: 3-methoxy furano - 2, 3, 7, 8-flavone; Karanjin; Pongamol; Karanjin from Pongamia glabra oil; 水黄皮二酮; 水黄皮素 来源于水黄皮 油

Database IDs

• CAS Number: 521-88-0
• MDL Number: MFCD00017406
• PubChem SID: 162222285
• PubChem CID: 100633
• CHEMBL: 208484
• Chemspider ID: 90925
• Wikipedia Title: Karanjin

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9925115
• LogD (pH = 7.4): 2.9925115
• Log P: 2.9925115
• Molar Refractivity: 82.5309 cm^3
• Polarizability: 32.178596 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C18H12O4