methyl 5-methoxy-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate

• ChemBase ID: 54779
• Molecular Formular: C19H19NO4
• Molecular Mass: 325.35846
• Monoisotopic Mass: 325.13140809
• SMILES: c1(c(n(c2c1cc(cc2)OC)c1ccc(cc1)OC)C)C(=O)OC
• Canonical SMILES: COc1ccc(cc1)n1c(C)c(c2c1ccc(c2)OC)C(=O)OC
• InChI: InChI=1S/C19H19NO4/c1-12-18(19(21)24-4)16-11-15(23-3)9-10-17(16)20(12)13-5-7-14(22-2)8-6-13/h5-11H,1-4H3
• InChIKey: ANLSSPKBJMCASW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-methoxy-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate
• IUPAC Traditional name: methyl 5-methoxy-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate
• Synonyms: Methyl 5-methoxy-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate

Database IDs

• MDL Number: MFCD18800404
• PubChem SID: 162059542
• PubChem CID: 50938274

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3131
• LogD (pH = 7.4): 3.3131
• Log P: 3.3131
• Molar Refractivity: 102.2395 cm^3
• Polarizability: 37.038532 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false