1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol

C19H19NO3 — CID 134913621

IUPAC1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol
SMILESCOc1ccc(C(C)(O)c2cncc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO3/c1-19(21,14-8-9-17(22-2)18(10-14)23-3)16-12-20-11-13-6-4-5-7-15(13)16/h4-12,21H,1-3H3
InChIKeyJYDSEAOPICMGBG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.51
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol

1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol (PubChem CID 134913621) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol
PubChem CID134913621
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol
SMILESCOc1ccc(C(C)(O)c2cncc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO3/c1-19(21,14-8-9-17(22-2)18(10-14)23-3)16-12-20-11-13-6-4-5-7-15(13)16/h4-12,21H,1-3H3
InChIKeyJYDSEAOPICMGBG-UHFFFAOYSA-N
XLogP3.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
2-isoquinolin-4-ylpentan-2-ol
CID 80557388
1-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)ethanol
CID 62787623
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268
1-(2-methoxyphenyl)-1-quinolin-3-ylethanol
CID 60924956
1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
CID 63940931
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
4-(tert-butylamino)-2-isoquinolin-4-ylbutan-2-ol
CID 66001660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol (CID 134913621) is 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol is COc1ccc(C(C)(O)c2cncc3ccccc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol?
The InChIKey is JYDSEAOPICMGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(21,14-8-9-17(22-2)18(10-14)23-3)16-12-20-11-13-6-4-5-7-15(13)16/h4-12,21H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol?
1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol has a molecular weight of 309.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 134913621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).