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

C17H13Cl2NO — CID 53315287

IUPAC1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO/c18-14-8-6-12(9-15(14)19)17(21)10-13-7-5-11-3-1-2-4-16(11)20-13/h1-9,17,21H,10H2
InChIKeySRFRFWXSQREKOO-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.82
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol (PubChem CID 53315287) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol
PubChem CID53315287
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO/c18-14-8-6-12(9-15(14)19)17(21)10-13-7-5-11-3-1-2-4-16(11)20-13/h1-9,17,21H,10H2
InChIKeySRFRFWXSQREKOO-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol (CID 53315287) is 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol?
The InChIKey is SRFRFWXSQREKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c18-14-8-6-12(9-15(14)19)17(21)10-13-7-5-11-3-1-2-4-16(11)20-13/h1-9,17,21H,10H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol?
1-(3,4-dichlorophenyl)-2-quinolin-2-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 1-(3,4-dichlorophenyl)-2-quinolin-2-ylethanol is sourced from PubChem (CID 53315287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).