6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one

C16H18ClNO3 — CID 82517215

IUPAC6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(Cl)ccc2OC)ccc(CO)c1=O
InChIInChI=1S/C16H18ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9,19H,3,8,10H2,1-2H3
InChIKeyZEUAPUMRUDQWMB-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.08
Rot. Bonds5

About 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one

6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one (PubChem CID 82517215) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
PubChem CID82517215
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2cc(Cl)ccc2OC)ccc(CO)c1=O
InChIInChI=1S/C16H18ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9,19H,3,8,10H2,1-2H3
InChIKeyZEUAPUMRUDQWMB-UHFFFAOYSA-N
XLogP3.08
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
CID 82517220
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-(5-chloro-2-methoxyphenyl)-2-methyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82444558
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
1-cyclopropyl-6-(2,4-dichlorophenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519154
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
6-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
CID 82517210
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one (CID 82517215) is 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one is CCCn1c(-c2cc(Cl)ccc2OC)ccc(CO)c1=O.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
The InChIKey is ZEUAPUMRUDQWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-3-8-18-14(6-4-11(10-19)16(18)20)13-9-12(17)5-7-15(13)21-2/h4-7,9,19H,3,8,10H2,1-2H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one?
6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one has a molecular weight of 307.78 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82517215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).