2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol

C17H13ClFNO — CID 63022138

IUPAC2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cnc2ccccc2c1
InChIInChI=1S/C17H13ClFNO/c18-14-5-3-6-15(19)13(14)9-17(21)12-8-11-4-1-2-7-16(11)20-10-12/h1-8,10,17,21H,9H2
InChIKeyHDBURFCZSYQVPF-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol

2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol (PubChem CID 63022138) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
PubChem CID63022138
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
SMILESOC(Cc1c(F)cccc1Cl)c1cnc2ccccc2c1
InChIInChI=1S/C17H13ClFNO/c18-14-5-3-6-15(19)13(14)9-17(21)12-8-11-4-1-2-7-16(11)20-10-12/h1-8,10,17,21H,9H2
InChIKeyHDBURFCZSYQVPF-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-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 63939585
(2-chlorophenyl)-quinolin-3-ylmethanol
CID 62099090
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 61083005
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanol
CID 81143648
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
fluoro(quinolin-3-yl)methanol
CID 163892772
(4-chlorophenyl)-quinolin-3-ylmethanol
CID 20794845
1-quinolin-3-ylbutan-1-ol
CID 60924193
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol (CID 63022138) is 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol is OC(Cc1c(F)cccc1Cl)c1cnc2ccccc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol?
The InChIKey is HDBURFCZSYQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-14-5-3-6-15(19)13(14)9-17(21)12-8-11-4-1-2-7-16(11)20-10-12/h1-8,10,17,21H,9H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol?
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-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-quinolin-3-ylethanol is sourced from PubChem (CID 63022138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).