2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

C17H19NO2 — CID 24953254

IUPAC2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H19NO2/c1-20-17-10-14-7-8-18(12-15(14)9-16(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11-12H2,1H3
InChIKeyHYANSBUJFOOHKT-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.96
Rot. Bonds3

About 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 24953254) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID24953254
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C17H19NO2/c1-20-17-10-14-7-8-18(12-15(14)9-16(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11-12H2,1H3
InChIKeyHYANSBUJFOOHKT-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409118
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 91109625
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol (CID 24953254) is 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol is COc1cc2c(cc1O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is HYANSBUJFOOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17-10-14-7-8-18(12-15(14)9-16(17)19)11-13-5-3-2-4-6-13/h2-6,9-10,19H,7-8,11-12H2,1H3.
What are the key properties of 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 269.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 24953254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).