(2-chlorophenyl)-isoquinolin-5-ylmethanol

C16H12ClNO — CID 62813520

IUPAC(2-chlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccccc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12ClNO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H
InChIKeyOQRJIUNCDUQHGT-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.97
Rot. Bonds2

About (2-chlorophenyl)-isoquinolin-5-ylmethanol

(2-chlorophenyl)-isoquinolin-5-ylmethanol (PubChem CID 62813520) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (2-chlorophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-isoquinolin-5-ylmethanol
PubChem CID62813520
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(2-chlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccccc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H12ClNO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H
InChIKeyOQRJIUNCDUQHGT-UHFFFAOYSA-N
XLogP3.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
CID 79780125
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3-chloro-4-methylthiophen-2-yl)-isoquinolin-5-ylmethanol
CID 103407962
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-chlorophenyl)-isoquinolin-5-ylmethanol (CID 62813520) is (2-chlorophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-isoquinolin-5-ylmethanol is OC(c1ccccc1Cl)c1cccc2cnccc12.
What is the InChIKey of (2-chlorophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is OQRJIUNCDUQHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15-7-2-1-5-14(15)16(19)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H.
What are the key properties of (2-chlorophenyl)-isoquinolin-5-ylmethanol?
(2-chlorophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 269.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 62813520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).