4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

C16H18ClNO4 — CID 58580294

IUPAC4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(Cl)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C16H18ClNO4/c1-16(2,20)10-22-13-5-4-12(9-14(13)21-3)18-7-6-11(17)8-15(18)19/h4-9,20H,10H2,1-3H3
InChIKeyNXYSFVDJNGGODV-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one

4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (PubChem CID 58580294) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.

Molecular Properties

Compound Name4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
PubChem CID58580294
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(Cl)cc2=O)ccc1OCC(C)(C)O
InChIInChI=1S/C16H18ClNO4/c1-16(2,20)10-22-13-5-4-12(9-14(13)21-3)18-7-6-11(17)8-15(18)19/h4-9,20H,10H2,1-3H3
InChIKeyNXYSFVDJNGGODV-UHFFFAOYSA-N
XLogP2.65
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580291
4-(4-chlorophenyl)-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 70644767
4-[2-(3,4-difluorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580250
4-[(4-chlorophenyl)methylamino]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926808
1-chloro-4-methylbenzene;1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one
CID 143744929
4-[2-(4-chlorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 67135622
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
CID 46911203
4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926725
6-(4-chloro-2-methylphenyl)-3-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 16718705
6-(5-chloropyrimidin-2-yl)-3-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 45278578
6-[(4-chlorophenyl)methylsulfanyl]-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-4-one
CID 58579931
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene
CID 143744892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The IUPAC name of 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one (CID 58580294) is 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one.
What is the SMILES notation for 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The canonical SMILES for 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is COc1cc(-n2ccc(Cl)cc2=O)ccc1OCC(C)(C)O.
What is the InChIKey of 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
The InChIKey is NXYSFVDJNGGODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-16(2,20)10-22-13-5-4-12(9-14(13)21-3)18-7-6-11(17)8-15(18)19/h4-9,20H,10H2,1-3H3.
What are the key properties of 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one?
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one has a molecular weight of 323.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one is sourced from PubChem (CID 58580294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).