(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol

C16H11Cl2NO — CID 103139219

IUPAC(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1cccc2ccncc12
InChIInChI=1S/C16H11Cl2NO/c17-12-6-11(7-13(18)8-12)16(20)14-3-1-2-10-4-5-19-9-15(10)14/h1-9,16,20H
InChIKeyUWMIDAAYSHUPIA-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.62
Rot. Bonds2

About (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol

(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139219) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
PubChem CID103139219
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1cc(Cl)cc(Cl)c1)c1cccc2ccncc12
InChIInChI=1S/C16H11Cl2NO/c17-12-6-11(7-13(18)8-12)16(20)14-3-1-2-10-4-5-19-9-15(10)14/h1-9,16,20H
InChIKeyUWMIDAAYSHUPIA-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-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(3-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139395
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
CID 106694109
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol (CID 103139219) is (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol is OC(c1cc(Cl)cc(Cl)c1)c1cccc2ccncc12.
What is the InChIKey of (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol?
The InChIKey is UWMIDAAYSHUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-12-6-11(7-13(18)8-12)16(20)14-3-1-2-10-4-5-19-9-15(10)14/h1-9,16,20H.
What are the key properties of (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol?
(3,5-dichlorophenyl)-isoquinolin-8-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 (3,5-dichlorophenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).