4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one

C22H23ClNO2P — CID 138655957

IUPAC4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one
SMILESCOc1cn(C(C)Cc2ccccc2P)c(=O)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C22H23ClNO2P/c1-14-8-9-17(23)11-18(14)19-12-22(25)24(13-20(19)26-3)15(2)10-16-6-4-5-7-21(16)27/h4-9,11-13,15H,10,27H2,1-3H3
InChIKeyLITYQIHLUYAANE-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.79
Rot. Bonds5

About 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one

4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one (PubChem CID 138655957) has the molecular formula C22H23ClNO2P and a molecular weight of 399.86 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one
PubChem CID138655957
Molecular FormulaC22H23ClNO2P
Molecular Weight399.86 g/mol
Exact Mass399.12
IUPAC Name4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one
SMILESCOc1cn(C(C)Cc2ccccc2P)c(=O)cc1-c1cc(Cl)ccc1C
InChIInChI=1S/C22H23ClNO2P/c1-14-8-9-17(23)11-18(14)19-12-22(25)24(13-20(19)26-3)15(2)10-16-6-4-5-7-21(16)27/h4-9,11-13,15H,10,27H2,1-3H3
InChIKeyLITYQIHLUYAANE-UHFFFAOYSA-N
XLogP4.79
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.79
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

4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
CID 166879599
4-[[2-[4-(5-chloro-2-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoic acid
CID 155323174
(2R)-2-[4-(5-chloro-2-propylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-phenylpropanamide
CID 142296010
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547
4-[3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(2-methylphenyl)-2-oxobutyl]benzoic acid
CID 147272548
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 138656563
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)butanamide
CID 138656592
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methoxyphenyl)propanoyl]amino]benzoic acid
CID 134323491
4-[(5R)-3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxohexyl]benzoic acid
CID 149365728
4-[3-[4-(2-bromo-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxobutyl]benzoic acid
CID 159924126
4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
CID 152716565
2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 131986046

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one (CID 138655957) is 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one is COc1cn(C(C)Cc2ccccc2P)c(=O)cc1-c1cc(Cl)ccc1C.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one?
The InChIKey is LITYQIHLUYAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClNO2P/c1-14-8-9-17(23)11-18(14)19-12-22(25)24(13-20(19)26-3)15(2)10-16-6-4-5-7-21(16)27/h4-9,11-13,15H,10,27H2,1-3H3.
What are the key properties of 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one?
4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one has a molecular weight of 399.86 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-5-methoxy-1-[1-(2-phosphanylphenyl)propan-2-yl]pyridin-2-one is sourced from PubChem (CID 138655957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).