6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

C22H28ClNO2 — CID 53304031

IUPAC6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C22H28ClNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyBPUZMPXCUWYQIB-UHFFFAOYSA-N
MW373.92 g/mol
LogP5.70
Rot. Bonds5

About 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 53304031) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
PubChem CID53304031
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C22H28ClNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyBPUZMPXCUWYQIB-UHFFFAOYSA-N
XLogP5.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

6-[(4-fluorophenyl)methyl]-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 53304030
3-isopropyl-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 53304032
6-benzyl-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71655412
6-benzyl-3-iodo-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654830
3-iodo-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 71654898
3-isopropyl-4-(2-methylcyclohexoxy)-6-(p-tolylmethyl)-1H-pyridin-2-one
CID 71655473
4-[(1S,2R)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655474
4-[(1S,2S)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655475
6-benzyl-3-bromo-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654767
6-benzyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654766
3-isopropyl-4-[(1R,2R)-2-methylcyclohexoxy]-6-phenethyl-1H-pyridin-2-one
CID 53304131
3-isopropyl-4-[(1R,2S)-2-methylcyclohexoxy]-6-phenethyl-1H-pyridin-2-one
CID 86573233

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (CID 53304031) is 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(OC2CCCCC2C)cc(Cc2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is BPUZMPXCUWYQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-14(2)21-20(26-19-7-5-4-6-15(19)3)13-18(24-22(21)25)12-16-8-10-17(23)11-9-16/h8-11,13-15,19H,4-7,12H2,1-3H3,(H,24,25).
What are the key properties of 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 373.92 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 53304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).