1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one

C20H25FNO2P — CID 70955668

IUPAC1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(P)cc2F)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H25FNO2P/c1-13-10-19(24-12-15-8-9-17(25)11-18(15)21)14(2)20(23)22(13)16-6-4-3-5-7-16/h8-11,16H,3-7,12,25H2,1-2H3
InChIKeyRBEPBYSPZWKMNI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.19
Rot. Bonds4

About 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one

1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one (PubChem CID 70955668) has the molecular formula C20H25FNO2P and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one
PubChem CID70955668
Molecular FormulaC20H25FNO2P
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(P)cc2F)cc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H25FNO2P/c1-13-10-19(24-12-15-8-9-17(25)11-18(15)21)14(2)20(23)22(13)16-6-4-3-5-7-16/h8-11,16H,3-7,12,25H2,1-2H3
InChIKeyRBEPBYSPZWKMNI-UHFFFAOYSA-N
XLogP4.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(2,4-difluorobenzyloxy)-1-(4-((dimethylamino)methyl)benzyl)-6-methylpyridin-2(1H)-one
CID 22050722
1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487283
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-(4-((dipropylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487383
4-(4-fluorobenzyloxy)-1-(4-((isopropyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487390
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
4-[(2,4-Difluorophenyl)methoxy]-6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 122178642

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one (CID 70955668) is 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one is Cc1c(OCc2ccc(P)cc2F)cc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one?
The InChIKey is RBEPBYSPZWKMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FNO2P/c1-13-10-19(24-12-15-8-9-17(25)11-18(15)21)14(2)20(23)22(13)16-6-4-3-5-7-16/h8-11,16H,3-7,12,25H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one?
1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one has a molecular weight of 361.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(2-fluoro-4-phosphanylphenyl)methoxy]-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 70955668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).