(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol

C16H11Cl2NO — CID 63893316

IUPAC(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H11Cl2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H
InChIKeyVUSSEWGOPLURHQ-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.62
Rot. Bonds2

About (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol

(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol (PubChem CID 63893316) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
PubChem CID63893316
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H11Cl2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H
InChIKeyVUSSEWGOPLURHQ-UHFFFAOYSA-N
XLogP4.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
CID 79780125
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
[(2,5-dichlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303049
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol (CID 63893316) is (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol is OC(c1ccc(Cl)cc1Cl)c1cccc2cnccc12.
What is the InChIKey of (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is VUSSEWGOPLURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-11-4-5-14(15(18)8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H.
What are the key properties of (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol?
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 304.18 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 63893316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).