1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C17H18ClNO2 — CID 23757267

IUPAC1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO2/c1-19-8-7-12-9-16(21-2)15(20)10-14(12)17(19)11-3-5-13(18)6-4-11/h3-6,9-10,17,20H,7-8H2,1-2H3
InChIKeyIXRNDUNSZZYKEO-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.63
Rot. Bonds2

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

1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 23757267) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID23757267
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO2/c1-19-8-7-12-9-16(21-2)15(20)10-14(12)17(19)11-3-5-13(18)6-4-11/h3-6,9-10,17,20H,7-8H2,1-2H3
InChIKeyIXRNDUNSZZYKEO-UHFFFAOYSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23919112
1-[(1R)-1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 40514092
methyl 1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11847566
1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 21075843
1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-7-hydroxy-6-methoxy-1,4-dihydroisoquinolin-3-one
CID 58438078
4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
CID 609741
1-(4-chlorophenyl)-6,7-dimethoxy-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599977
(1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 6992052
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 10042357
1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 58438111
(1S)-2-[(R)-tert-butylsulfinyl]-1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 134841767
(2S,11bR)-2-(4-chlorophenyl)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,10-diol
CID 71562963

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 23757267) is 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is COc1cc2c(cc1O)C(c1ccc(Cl)cc1)N(C)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is IXRNDUNSZZYKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19-8-7-12-9-16(21-2)15(20)10-14(12)17(19)11-3-5-13(18)6-4-11/h3-6,9-10,17,20H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 303.79 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 23757267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).