5-methoxy-3,3-bis(4-methoxyphenyl)-3H-benzo[f]chromene

• ChemBase ID: 185946
• Molecular Formular: C28H24O4
• Molecular Mass: 424.48776
• Monoisotopic Mass: 424.16745925
• SMILES: C1(Oc2c(C=C1)c1c(cc2OC)cccc1)(c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2ccccc2c2c1OC(C=C2)(c1ccc(cc1)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C28H24O4/c1-29-22-12-8-20(9-13-22)28(21-10-14-23(30-2)15-11-21)17-16-25-24-7-5-4-6-19(24)18-26(31-3)27(25)32-28/h4-18H,1-3H3
• InChIKey: UYABAZNKMIFAFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3,3-bis(4-methoxyphenyl)-3H-benzo[f]chromene
• IUPAC Traditional name: 5-methoxy-3,3-bis(4-methoxyphenyl)benzo[f]chromene

Database IDs

• PubChem SID: 164241856
• PubChem CID: 1731657

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.986943
• LogD (pH = 7.4): 5.986943
• Log P: 5.986943
• Molar Refractivity: 126.2202 cm^3
• Polarizability: 49.926353 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds