2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol

C17H13Cl2NO — CID 65148875

IUPAC2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C17H13Cl2NO/c18-14-7-6-11(9-15(14)19)10-16(21)13-5-1-3-12-4-2-8-20-17(12)13/h1-9,16,21H,10H2
InChIKeyAAAHJANFQSIBAV-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.82
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol

2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol (PubChem CID 65148875) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
PubChem CID65148875
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1cccc2cccnc12
InChIInChI=1S/C17H13Cl2NO/c18-14-7-6-11(9-15(14)19)10-16(21)13-5-1-3-12-4-2-8-20-17(12)13/h1-9,16,21H,10H2
InChIKeyAAAHJANFQSIBAV-UHFFFAOYSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
CID 115960037
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
3-pyridin-4-yl-1-quinolin-8-ylpropan-1-ol
CID 105118771
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanamine
CID 105151425
1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
8-(dichloromethyl)quinoline
CID 19989328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol (CID 65148875) is 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1cccc2cccnc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol?
The InChIKey is AAAHJANFQSIBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c18-14-7-6-11(9-15(14)19)10-16(21)13-5-1-3-12-4-2-8-20-17(12)13/h1-9,16,21H,10H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol?
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol has a molecular weight of 318.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol is sourced from PubChem (CID 65148875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).