6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline

• ChemBase ID: 192527
• Molecular Formular: C17H17NO2
• Molecular Mass: 267.32238
• Monoisotopic Mass: 267.12592879
• SMILES: c12C(=NCCc2cc(c(c1)OC)OC)c1ccccc1
• Canonical SMILES: COc1cc2c(cc1OC)CCN=C2c1ccccc1
• InChI: InChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3
• InChIKey: WGTCMJBJRPKENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
• IUPAC Traditional name: 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline

Database IDs

• PubChem SID: 164248437
• PubChem CID: 622378

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.638655
• LogD (pH = 7.4): 3.3685448
• Log P: 3.3934824
• Molar Refractivity: 79.8233 cm^3
• Polarizability: 30.385157 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds