3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one

C18H14ClNO2 — CID 22318953

IUPAC3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(CO)cn1-c1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-17-9-5-4-8-15(17)16-10-13(12-21)11-20(18(16)22)14-6-2-1-3-7-14/h1-11,21H,12H2
InChIKeyYPIXMLSZYTWWFI-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.65
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one

3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one (PubChem CID 22318953) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one
PubChem CID22318953
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one
SMILESO=c1c(-c2ccccc2Cl)cc(CO)cn1-c1ccccc1
InChIInChI=1S/C18H14ClNO2/c19-17-9-5-4-8-15(17)16-10-13(12-21)11-20(18(16)22)14-6-2-1-3-7-14/h1-11,21H,12H2
InChIKeyYPIXMLSZYTWWFI-UHFFFAOYSA-N
XLogP3.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one (CID 22318953) is 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one is O=c1c(-c2ccccc2Cl)cc(CO)cn1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one?
The InChIKey is YPIXMLSZYTWWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-17-9-5-4-8-15(17)16-10-13(12-21)11-20(18(16)22)14-6-2-1-3-7-14/h1-11,21H,12H2.
What are the key properties of 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one?
3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(hydroxymethyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 22318953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).