(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol

C17H14ClNO — CID 106859204

IUPAC(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cnccc23)c(Cl)c1
InChIInChI=1S/C17H14ClNO/c1-11-5-6-15(16(18)9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3
InChIKeyJQPRLIDKHZKZOL-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.28
Rot. Bonds2

About (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol

(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol (PubChem CID 106859204) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
PubChem CID106859204
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
SMILESCc1ccc(C(O)c2cccc3cnccc23)c(Cl)c1
InChIInChI=1S/C17H14ClNO/c1-11-5-6-15(16(18)9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3
InChIKeyJQPRLIDKHZKZOL-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
CID 79780125
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol (CID 106859204) is (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol is Cc1ccc(C(O)c2cccc3cnccc23)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol?
The InChIKey is JQPRLIDKHZKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-5-6-15(16(18)9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10,17,20H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol?
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol has a molecular weight of 283.76 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 106859204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).