1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one

C19H22ClNO2 — CID 69445447

IUPAC1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one
SMILESO=c1ccc(OCC2CCCCC2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)12-21-13-18(10-11-19(21)22)23-14-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12,14H2
InChIKeyKEBUOVFPUKKUIT-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.51
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one

1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one (PubChem CID 69445447) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one
PubChem CID69445447
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one
SMILESO=c1ccc(OCC2CCCCC2)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)12-21-13-18(10-11-19(21)22)23-14-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12,14H2
InChIKeyKEBUOVFPUKKUIT-UHFFFAOYSA-N
XLogP4.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one (CID 69445447) is 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one is O=c1ccc(OCC2CCCCC2)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one?
The InChIKey is KEBUOVFPUKKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c20-17-8-6-15(7-9-17)12-21-13-18(10-11-19(21)22)23-14-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12,14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one?
1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one has a molecular weight of 331.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(cyclohexylmethoxy)pyridin-2-one is sourced from PubChem (CID 69445447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).