6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol

C25H27NO2 — CID 71281114

IUPAC6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccccc1C)N(CCc1ccccc1)CC2
InChIInChI=1S/C25H27NO2/c1-18-8-6-7-11-21(18)25-22-17-23(27)24(28-2)16-20(22)13-15-26(25)14-12-19-9-4-3-5-10-19/h3-11,16-17,25,27H,12-15H2,1-2H3
InChIKeyANWQPWCIWIBUHH-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.90
Rot. Bonds5

About 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol

6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 71281114) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID71281114
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccccc1C)N(CCc1ccccc1)CC2
InChIInChI=1S/C25H27NO2/c1-18-8-6-7-11-21(18)25-22-17-23(27)24(28-2)16-20(22)13-15-26(25)14-12-19-9-4-3-5-10-19/h3-11,16-17,25,27H,12-15H2,1-2H3
InChIKeyANWQPWCIWIBUHH-UHFFFAOYSA-N
XLogP4.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol with MolForge

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Related Compounds

(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23919112
(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 100956100
3-[2-[[1-(2,4-dimethylphenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethyl]phenol
CID 166812276
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742754
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23757267
1-[1-(2,4-dimethylphenyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one
CID 167581063
(13aR)-3,11-dimethoxy-2-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
CID 129027030
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol (CID 71281114) is 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol is COc1cc2c(cc1O)C(c1ccccc1C)N(CCc1ccccc1)CC2.
What is the InChIKey of 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is ANWQPWCIWIBUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-18-8-6-7-11-21(18)25-22-17-23(27)24(28-2)16-20(22)13-15-26(25)14-12-19-9-4-3-5-10-19/h3-11,16-17,25,27H,12-15H2,1-2H3.
What are the key properties of 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 373.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methylphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 71281114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).