2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-chromene

• ChemBase ID: 191667
• Molecular Formular: C24H22O3
• Molecular Mass: 358.42968
• Monoisotopic Mass: 358.15689456
• SMILES: C1(=CC(c2c(O1)cccc2)c1ccc(cc1)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)C1=CC(c2c(O1)cccc2)c1ccc(cc1)C
• InChI: InChI=1S/C24H22O3/c1-16-8-10-17(11-9-16)20-15-23(27-21-7-5-4-6-19(20)21)18-12-13-22(25-2)24(14-18)26-3/h4-15,20H,1-3H3
• InChIKey: VBJVGLHLGSTJDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-chromene
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-4H-chromene

Database IDs

• PubChem SID: 164247577
• PubChem CID: 2865433

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3709173
• LogD (pH = 7.4): 5.3709173
• Log P: 5.3709173
• Molar Refractivity: 108.8192 cm^3
• Polarizability: 41.636307 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds