2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol

C17H14ClNO — CID 63939969

IUPAC2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cncc2ccccc12
InChIInChI=1S/C17H14ClNO/c18-14-7-5-12(6-8-14)9-17(20)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11,17,20H,9H2
InChIKeyUMEPASQLNKQHGF-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol

2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol (PubChem CID 63939969) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
PubChem CID63939969
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cncc2ccccc12
InChIInChI=1S/C17H14ClNO/c18-14-7-5-12(6-8-14)9-17(20)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11,17,20H,9H2
InChIKeyUMEPASQLNKQHGF-UHFFFAOYSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 63939585
1-isoquinolin-4-yl-2-thiophen-3-ylethanol
CID 104504569
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
CID 104504582
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine
CID 105197733
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-4-ylethanamine
CID 66143984
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol (CID 63939969) is 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol is OC(Cc1ccc(Cl)cc1)c1cncc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol?
The InChIKey is UMEPASQLNKQHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-14-7-5-12(6-8-14)9-17(20)16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11,17,20H,9H2.
What are the key properties of 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol?
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol has a molecular weight of 283.76 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 63939969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).