1-isoquinolin-4-yl-1-phenylethanol

C17H15NO — CID 63939165

IUPAC1-isoquinolin-4-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C17H15NO/c1-17(19,14-8-3-2-4-9-14)16-12-18-11-13-7-5-6-10-15(13)16/h2-12,19H,1H3
InChIKeyDEIFEHWJAZNOLX-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.49
Rot. Bonds2

About 1-isoquinolin-4-yl-1-phenylethanol

1-isoquinolin-4-yl-1-phenylethanol (PubChem CID 63939165) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-1-phenylethanol.

Molecular Properties

Compound Name1-isoquinolin-4-yl-1-phenylethanol
PubChem CID63939165
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-isoquinolin-4-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cncc2ccccc12
InChIInChI=1S/C17H15NO/c1-17(19,14-8-3-2-4-9-14)16-12-18-11-13-7-5-6-10-15(13)16/h2-12,19H,1H3
InChIKeyDEIFEHWJAZNOLX-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(pyridin-3-yl)methanol
CID 234839
Cyprolidol
CID 199758
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
Isoquinolin-1-yl(phenyl)methanol
CID 2789853
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
Benzenemethanol, alpha-phenyl-alpha-(2-(4-pyridinyl)cyclopropyl)-, hydrochloride (1:1)
CID 66260
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
2-(Dimethylamino)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11638319
2-(Diethylamino)-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885587

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-1-phenylethanol?
The IUPAC name of 1-isoquinolin-4-yl-1-phenylethanol (CID 63939165) is 1-isoquinolin-4-yl-1-phenylethanol.
What is the SMILES notation for 1-isoquinolin-4-yl-1-phenylethanol?
The canonical SMILES for 1-isoquinolin-4-yl-1-phenylethanol is CC(O)(c1ccccc1)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-1-phenylethanol?
The InChIKey is DEIFEHWJAZNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-17(19,14-8-3-2-4-9-14)16-12-18-11-13-7-5-6-10-15(13)16/h2-12,19H,1H3.
What are the key properties of 1-isoquinolin-4-yl-1-phenylethanol?
1-isoquinolin-4-yl-1-phenylethanol has a molecular weight of 249.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-1-phenylethanol is sourced from PubChem (CID 63939165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).