6-ethyl-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 181933
• Molecular Formular: C19H18O4
• Molecular Mass: 310.34382
• Monoisotopic Mass: 310.12050906
• SMILES: c1(c(=O)c2c(oc1)cc(c(c2)CC)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)OC)CC
• InChI: InChI=1S/C19H18O4/c1-4-12-9-15-18(10-17(12)22-3)23-11-16(19(15)20)13-5-7-14(21-2)8-6-13/h5-11H,4H2,1-3H3
• InChIKey: QMDCRBWDRCCZTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 6-ethyl-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164237843
• PubChem CID: 854601

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9802158
• LogD (pH = 7.4): 3.9802158
• Log P: 3.9802158
• Molar Refractivity: 88.3088 cm^3
• Polarizability: 33.905014 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds