6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol

C18H19NO2 — CID 91664980

IUPAC6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(CCc1ccccc1)=NCC2
InChIInChI=1S/C18H19NO2/c1-21-18-11-14-9-10-19-16(15(14)12-17(18)20)8-7-13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3
InChIKeyXLVXKJNYZVYVIW-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.38
Rot. Bonds4

About 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol

6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol (PubChem CID 91664980) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
PubChem CID91664980
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(CCc1ccccc1)=NCC2
InChIInChI=1S/C18H19NO2/c1-21-18-11-14-9-10-19-16(15(14)12-17(18)20)8-7-13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3
InChIKeyXLVXKJNYZVYVIW-UHFFFAOYSA-N
XLogP3.38
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
CID 11025506
N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-N-phenylaniline;hydrochloride
CID 70505599
benzyl N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]carbamate
CID 11057351
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
CID 54611410
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
CID 605727
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
CID 134868927
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol?
The IUPAC name of 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol (CID 91664980) is 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol.
What is the SMILES notation for 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol?
The canonical SMILES for 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol is COc1cc2c(cc1O)C(CCc1ccccc1)=NCC2.
What is the InChIKey of 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol?
The InChIKey is XLVXKJNYZVYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18-11-14-9-10-19-16(15(14)12-17(18)20)8-7-13-5-3-2-4-6-13/h2-6,11-12,20H,7-10H2,1H3.
What are the key properties of 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol?
6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol has a molecular weight of 281.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol is sourced from PubChem (CID 91664980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).