2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol

C17H13Cl2NO — CID 115960037

IUPAC2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13Cl2NO/c18-12-4-1-3-11(9-12)10-16(21)14-6-7-15(19)13-5-2-8-20-17(13)14/h1-9,16,21H,10H2
InChIKeyDSZNHVVZJJBMEX-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.82
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol

2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol (PubChem CID 115960037) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
PubChem CID115960037
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13Cl2NO/c18-12-4-1-3-11(9-12)10-16(21)14-6-7-15(19)13-5-2-8-20-17(13)14/h1-9,16,21H,10H2
InChIKeyDSZNHVVZJJBMEX-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

1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
2-(3-chlorophenyl)-1-quinolin-5-ylethanol
CID 81220656
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
1-(5-chloroquinolin-8-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115960088
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
ethyl 4-(5-chloroquinolin-8-yl)-4-hydroxybutanoate
CID 115960222
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol (CID 115960037) is 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol is OC(Cc1cccc(Cl)c1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol?
The InChIKey is DSZNHVVZJJBMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c18-12-4-1-3-11(9-12)10-16(21)14-6-7-15(19)13-5-2-8-20-17(13)14/h1-9,16,21H,10H2.
What are the key properties of 2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol?
2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol 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-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol is sourced from PubChem (CID 115960037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).