1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one

C17H19NO3 — CID 127027339

IUPAC1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one
SMILESO=c1cc(-c2ccccc2O)ccn1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H19NO3/c19-15-7-3-1-5-13(15)12-9-10-18(17(21)11-12)14-6-2-4-8-16(14)20/h1,3,5,7,9-11,14,16,19-20H,2,4,6,8H2/t14-,16-/m0/s1
InChIKeyWEFTZYRQBSYMOH-HOCLYGCPSA-N
MW285.34 g/mol
LogP2.70
Rot. Bonds2

About 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one

1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one (PubChem CID 127027339) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one
PubChem CID127027339
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one
SMILESO=c1cc(-c2ccccc2O)ccn1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H19NO3/c19-15-7-3-1-5-13(15)12-9-10-18(17(21)11-12)14-6-2-4-8-16(14)20/h1,3,5,7,9-11,14,16,19-20H,2,4,6,8H2/t14-,16-/m0/s1
InChIKeyWEFTZYRQBSYMOH-HOCLYGCPSA-N
XLogP2.70
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one (CID 127027339) is 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one is O=c1cc(-c2ccccc2O)ccn1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one?
The InChIKey is WEFTZYRQBSYMOH-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15-7-3-1-5-13(15)12-9-10-18(17(21)11-12)14-6-2-4-8-16(14)20/h1,3,5,7,9-11,14,16,19-20H,2,4,6,8H2/t14-,16-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one?
1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-hydroxyphenyl)pyridin-2-one is sourced from PubChem (CID 127027339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).