1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

• ChemBase ID: 198696
• Molecular Formular: C27H23NO5
• Molecular Mass: 441.47522
• Monoisotopic Mass: 441.15762284
• SMILES: c12c(C(=O)N(C2c2ccc(cc2)OC)CCc2ccc(cc2)OC)oc2c(c1=O)cccc2
• Canonical SMILES: COc1ccc(cc1)CCN1C(c2ccc(cc2)OC)c2c(C1=O)oc1c(c2=O)cccc1
• InChI: InChI=1S/C27H23NO5/c1-31-19-11-7-17(8-12-19)15-16-28-24(18-9-13-20(32-2)14-10-18)23-25(29)21-5-3-4-6-22(21)33-26(23)27(28)30/h3-14,24H,15-16H2,1-2H3
• InChIKey: SBAFKRFWYODVML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
• IUPAC Traditional name: 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

Database IDs

• PubChem SID: 164254606
• PubChem CID: 3751990

CALCULATED PROPERTIES

• Acid pKa: 12.3808365
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0529046
• LogD (pH = 7.4): 4.0529003
• Log P: 4.052905
• Molar Refractivity: 124.6563 cm^3
• Polarizability: 47.671772 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds