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

C17H13ClFNO — CID 82789499

IUPAC2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H13ClFNO/c18-14-5-1-3-13(17(14)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1-9,16,21H,10H2
InChIKeyCCPBQGMYSFVMSM-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.30
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol (PubChem CID 82789499) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
PubChem CID82789499
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
SMILESOC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1
InChIInChI=1S/C17H13ClFNO/c18-14-5-1-3-13(17(14)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1-9,16,21H,10H2
InChIKeyCCPBQGMYSFVMSM-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-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867461
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine
CID 63095103

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol (CID 82789499) is 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol is OC(Cc1cccc(Cl)c1F)c1ccc2ncccc2c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol?
The InChIKey is CCPBQGMYSFVMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-14-5-1-3-13(17(14)19)10-16(21)12-6-7-15-11(9-12)4-2-8-20-15/h1-9,16,21H,10H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol?
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-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-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 82789499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).