5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one

C20H23F2NO3 — CID 123566879

IUPAC5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(CO)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H23F2NO3/c1-13-9-15(11-23(2)19(13)25)17-10-14(12-24)3-4-18(17)26-16-5-7-20(21,22)8-6-16/h3-4,9-11,16,24H,5-8,12H2,1-2H3
InChIKeyCUJCFBNUHWWTBR-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.81
Rot. Bonds4

About 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one

5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 123566879) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
PubChem CID123566879
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(CO)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H23F2NO3/c1-13-9-15(11-23(2)19(13)25)17-10-14(12-24)3-4-18(17)26-16-5-7-20(21,22)8-6-16/h3-4,9-11,16,24H,5-8,12H2,1-2H3
InChIKeyCUJCFBNUHWWTBR-UHFFFAOYSA-N
XLogP3.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
CID 134311065
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
CID 118022252
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]methanesulfinamide;hydrate
CID 160815284
4-[5-(cyclobutylsulfonimidoyl)-2-(4,4-difluorocyclohexyl)oxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135227134
5-[4-(bromomethyl)-2,5-dimethylphenyl]-1,3-dimethylpyridin-2-one
CID 134247860
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009
N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
1-[[4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2,6-dimethoxyphenyl]methyl]azetidine-3-carboxylic acid;ethane
CID 154672542
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
2-(3,3-dimethylcyclopentyl)oxy-4-(hydroxymethyl)phenol
CID 117345058

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one (CID 123566879) is 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(CO)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O.
What is the InChIKey of 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is CUJCFBNUHWWTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-13-9-15(11-23(2)19(13)25)17-10-14(12-24)3-4-18(17)26-16-5-7-20(21,22)8-6-16/h3-4,9-11,16,24H,5-8,12H2,1-2H3.
What are the key properties of 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one?
5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 363.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 123566879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).