6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one

C15H16ClNO2 — CID 82519305

IUPAC6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O
InChIInChI=1S/C15H16ClNO2/c1-2-9-17-14(8-5-12(10-18)15(17)19)11-3-6-13(16)7-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyGMQHFEBCGAUEBN-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.07
Rot. Bonds4

About 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one

6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one (PubChem CID 82519305) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
PubChem CID82519305
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O
InChIInChI=1S/C15H16ClNO2/c1-2-9-17-14(8-5-12(10-18)15(17)19)11-3-6-13(16)7-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyGMQHFEBCGAUEBN-UHFFFAOYSA-N
XLogP3.07
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
1-butyl-6-(4-chlorophenyl)-2-oxopyridine-3-carbaldehyde
CID 82519268
[5-(4-chlorophenyl)-1,2-dimethylpyrrol-3-yl]methanol
CID 116828847
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one (CID 82519305) is 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(Cl)cc2)ccc(CO)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The InChIKey is GMQHFEBCGAUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-9-17-14(8-5-12(10-18)15(17)19)11-3-6-13(16)7-4-11/h3-8,18H,2,9-10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).