2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol

C17H13ClFNO — CID 63939585

IUPAC2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cncc2ccccc12
InChIInChI=1S/C17H13ClFNO/c18-15-6-3-7-16(19)13(15)8-17(21)14-10-20-9-11-4-1-2-5-12(11)14/h1-7,9-10,17,21H,8H2
InChIKeyXMPLAAQOFPWKOY-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol

2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol (PubChem CID 63939585) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
PubChem CID63939585
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cncc2ccccc12
InChIInChI=1S/C17H13ClFNO/c18-15-6-3-7-16(19)13(15)8-17(21)14-10-20-9-11-4-1-2-5-12(11)14/h1-7,9-10,17,21H,8H2
InChIKeyXMPLAAQOFPWKOY-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
CID 63022138
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 104504568

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol (CID 63939585) is 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol is OC(Cc1c(F)cccc1Cl)c1cncc2ccccc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol?
The InChIKey is XMPLAAQOFPWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-15-6-3-7-16(19)13(15)8-17(21)14-10-20-9-11-4-1-2-5-12(11)14/h1-7,9-10,17,21H,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol?
2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol has a molecular weight of 301.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 63939585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).