(4-chlorophenyl)-isoquinolin-8-ylmethanol

C16H12ClNO — CID 103139329

IUPAC(4-chlorophenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(Cl)cc1)c1cccc2ccncc12
InChIInChI=1S/C16H12ClNO/c17-13-6-4-12(5-7-13)16(19)14-3-1-2-11-8-9-18-10-15(11)14/h1-10,16,19H
InChIKeyGHFSZRBLFBBUEN-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.97
Rot. Bonds2

About (4-chlorophenyl)-isoquinolin-8-ylmethanol

(4-chlorophenyl)-isoquinolin-8-ylmethanol (PubChem CID 103139329) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chlorophenyl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-isoquinolin-8-ylmethanol
PubChem CID103139329
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name(4-chlorophenyl)-isoquinolin-8-ylmethanol
SMILESOC(c1ccc(Cl)cc1)c1cccc2ccncc12
InChIInChI=1S/C16H12ClNO/c17-13-6-4-12(5-7-13)16(19)14-3-1-2-11-8-9-18-10-15(11)14/h1-10,16,19H
InChIKeyGHFSZRBLFBBUEN-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

(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139380
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
(4-cyclopropylphenyl)-isoquinolin-8-ylmethanol
CID 103142969
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
(3-fluoro-4-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103138898
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
CID 106694109
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-isoquinolin-8-ylmethanol?
The IUPAC name of (4-chlorophenyl)-isoquinolin-8-ylmethanol (CID 103139329) is (4-chlorophenyl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-isoquinolin-8-ylmethanol is OC(c1ccc(Cl)cc1)c1cccc2ccncc12.
What is the InChIKey of (4-chlorophenyl)-isoquinolin-8-ylmethanol?
The InChIKey is GHFSZRBLFBBUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-6-4-12(5-7-13)16(19)14-3-1-2-11-8-9-18-10-15(11)14/h1-10,16,19H.
What are the key properties of (4-chlorophenyl)-isoquinolin-8-ylmethanol?
(4-chlorophenyl)-isoquinolin-8-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 (4-chlorophenyl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103139329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).