4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one

C20H27NO2 — CID 54749317

IUPAC4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one
SMILESCCCCCCC(C)(C)c1cc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H27NO2/c1-4-5-6-10-13-20(2,3)17-14-16(22)18(19(23)21-17)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,21,22,23)
InChIKeyWSYZQUUIYVSLEE-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.00
Rot. Bonds7

About 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one

4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one (PubChem CID 54749317) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one
PubChem CID54749317
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one
SMILESCCCCCCC(C)(C)c1cc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H27NO2/c1-4-5-6-10-13-20(2,3)17-14-16(22)18(19(23)21-17)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,21,22,23)
InChIKeyWSYZQUUIYVSLEE-UHFFFAOYSA-N
XLogP5.00
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one with MolForge

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Related Compounds

6-(Cyclohexylmethyl)-4-Hydroxy-3-Phenylpyridin-2(1h)-One
CID 76284487
6-((4,4-dimethylcyclohexyl)methyl)-4-hydroxy-3-phenylpyridin-2(1H)-one
CID 86580375
6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 76284490
5-Benzyl-4-hydroxy-2-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CID 54694333
3-(3-fluorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 76280928
4-Hydroxy-6-isobutyl-1-methyl-3-phenyl-pyridin-2-one
CID 76280929
6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 76284486
6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 76284488
6-(cyclobutylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 76284491
6-[(4,4-difluorocyclohexyl)methyl]-4-hydroxy-3-phenyl-1H-pyridin-2-one
CID 76284757
4-hydroxy-6-isobutyl-3-phenyl-1H-pyridin-2-one
CID 76284760
3-(3-chlorophenyl)-4-hydroxy-6-isobutyl-1H-pyridin-2-one
CID 76284762

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one (CID 54749317) is 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one is CCCCCCC(C)(C)c1cc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one?
The InChIKey is WSYZQUUIYVSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-5-6-10-13-20(2,3)17-14-16(22)18(19(23)21-17)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one?
4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one has a molecular weight of 313.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-methyloctan-2-yl)-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 54749317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).