3-{[(2Z)-5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-6-methoxy-4H-chromen-4-one

• ChemBase ID: 227356
• Molecular Formular: C22H18O6
• Molecular Mass: 378.37472
• Monoisotopic Mass: 378.1103383
• SMILES: c1(c(=O)c2c(oc1)ccc(c2)OC)/C=C/1\C(=O)c2c(C1)cc(c(c2)OC)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)c(co2)/C=C\1/Cc2c(C1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C22H18O6/c1-25-15-4-5-18-17(9-15)22(24)14(11-28-18)7-13-6-12-8-19(26-2)20(27-3)10-16(12)21(13)23/h4-5,7-11H,6H2,1-3H3/b13-7-
• InChIKey: UMQKMQFPXVIXGF-QPEQYQDCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(2Z)-5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-ylidene]methyl}-6-methoxy-4H-chromen-4-one
• IUPAC Traditional name: 3-{[(2Z)-5,6-dimethoxy-1-oxo-3H-inden-2-ylidene]methyl}-6-methoxychromen-4-one

Database IDs

• PubChem SID: 164283266
• PubChem CID: 71754486

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.9136527
• LogD (pH = 7.4): 2.9136527
• Log P: 2.9136527
• Molar Refractivity: 103.8077 cm^3
• Polarizability: 39.21788 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds