1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol

C17H15Cl2NO — CID 46173682

IUPAC1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol
SMILESOC(CN1C=CCc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c18-13-7-8-14(15(19)10-13)17(21)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-4,6-10,17,21H,5,11H2
InChIKeySURZAHRCOBVXOC-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.60
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol

1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol (PubChem CID 46173682) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol
PubChem CID46173682
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol
SMILESOC(CN1C=CCc2ccccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO/c18-13-7-8-14(15(19)10-13)17(21)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-4,6-10,17,21H,5,11H2
InChIKeySURZAHRCOBVXOC-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol (CID 46173682) is 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol is OC(CN1C=CCc2ccccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol?
The InChIKey is SURZAHRCOBVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c18-13-7-8-14(15(19)10-13)17(21)11-20-9-3-5-12-4-1-2-6-16(12)20/h1-4,6-10,17,21H,5,11H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol?
1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol has a molecular weight of 320.22 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4H-quinolin-1-yl)ethanol is sourced from PubChem (CID 46173682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).