6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one

C15H17NO2 — CID 20541693

IUPAC6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
SMILESCc1c(O)[nH]c(=O)c(C(C)c2ccccc2)c1C
InChIInChI=1S/C15H17NO2/c1-9-10(2)14(17)16-15(18)13(9)11(3)12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H2,16,17,18)
InChIKeyFZISYBFIAXGZKP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.85
Rot. Bonds2

About 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one

6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one (PubChem CID 20541693) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
PubChem CID20541693
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one
SMILESCc1c(O)[nH]c(=O)c(C(C)c2ccccc2)c1C
InChIInChI=1S/C15H17NO2/c1-9-10(2)14(17)16-15(18)13(9)11(3)12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H2,16,17,18)
InChIKeyFZISYBFIAXGZKP-UHFFFAOYSA-N
XLogP2.85
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
6-hydroxy-5-[1-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 91464890
4-hydroxy-6-methyl-3-(1-phenylethyl)pyran-2-one
CID 54720674
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1,2,4,5-tetrafluoro-3-methyl-6-(1-phenylethyl)benzene
CID 86056294
5-benzhydryl-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 2836478
methyl 2,5-dimethyl-4-(1-phenylethyl)-1H-pyrrole-3-carboxylate
CID 70426890
2-[2,5-dihydroxy-3-methyl-4-(1-phenylethyl)pyrrol-1-yl]acetic acid
CID 91560031
3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
CID 90085264
3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one
CID 152765421
1-phenylethylbenzene;stibane
CID 174965918

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one (CID 20541693) is 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one is Cc1c(O)[nH]c(=O)c(C(C)c2ccccc2)c1C.
What is the InChIKey of 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one?
The InChIKey is FZISYBFIAXGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-10(2)14(17)16-15(18)13(9)11(3)12-7-5-4-6-8-12/h4-8,11H,1-3H3,(H2,16,17,18).
What are the key properties of 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one?
6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,5-dimethyl-3-(1-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 20541693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).