6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one

C20H25NO2 — CID 86580375

IUPAC6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
SMILESCC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
InChIKeyWKDRRKVUJLNFSR-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.51
Rot. Bonds3

About 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one

6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one (PubChem CID 86580375) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
PubChem CID86580375
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Name6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
SMILESCC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
InChIKeyWKDRRKVUJLNFSR-UHFFFAOYSA-N
XLogP4.51
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one (CID 86580375) is 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one is CC1(C)CCC(Cc2cc(O)c(-c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The InChIKey is WKDRRKVUJLNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one?
6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one has a molecular weight of 311.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 86580375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).