4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one

C14H15NO2 — CID 154987892

IUPAC4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2cc[nH]c(=O)c2)cc1O
InChIInChI=1S/C14H15NO2/c1-9(2)12-4-3-10(7-13(12)16)11-5-6-15-14(17)8-11/h3-9,16H,1-2H3,(H,15,17)
InChIKeyVHHWRQPGUUPVFH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.87
Rot. Bonds2

About 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one

4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one (PubChem CID 154987892) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one
PubChem CID154987892
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one
SMILESCC(C)c1ccc(-c2cc[nH]c(=O)c2)cc1O
InChIInChI=1S/C14H15NO2/c1-9(2)12-4-3-10(7-13(12)16)11-5-6-15-14(17)8-11/h3-9,16H,1-2H3,(H,15,17)
InChIKeyVHHWRQPGUUPVFH-UHFFFAOYSA-N
XLogP2.87
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-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 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one (CID 154987892) is 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one is CC(C)c1ccc(-c2cc[nH]c(=O)c2)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one?
The InChIKey is VHHWRQPGUUPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)12-4-3-10(7-13(12)16)11-5-6-15-14(17)8-11/h3-9,16H,1-2H3,(H,15,17).
What are the key properties of 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one?
4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-propan-2-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 154987892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).