3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane

C16H21NO2 — CID 91397869

IUPAC3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(OCc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15NO2.C2H6/c1-10-8-13(11(2)14(16)15-10)17-9-12-6-4-3-5-7-12;1-2/h3-8H,9H2,1-2H3,(H,15,16);1-2H3
InChIKeyBLNPCOXLURKLFG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds3

About 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane

3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane (PubChem CID 91397869) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane
PubChem CID91397869
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(OCc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15NO2.C2H6/c1-10-8-13(11(2)14(16)15-10)17-9-12-6-4-3-5-7-12;1-2/h3-8H,9H2,1-2H3,(H,15,16);1-2H3
InChIKeyBLNPCOXLURKLFG-UHFFFAOYSA-N
XLogP3.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyloxy-2(1H)-pyridone
CID 3607724
3-isopropyl-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 53304032
6-benzyl-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71655412
3-iodo-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 71654898
4-[(1S,2R)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655474
4-[(1S,2S)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655475
2-Propenoic acid, 2-(acetylamino)-3-phenyl-, phenylmethyl ester, (2Z)-
CID 7284810
Spf-32629A
CID 54687215
[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] 3-methylbutanoate
CID 54728544
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
3-acetyl-4,5-dimethyl-5-phenylmethoxy-1H-pyrrol-2-one
CID 10635017
[(S)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] 3-methylbutanoate
CID 54728543

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane?
The IUPAC name of 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane (CID 91397869) is 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane?
The canonical SMILES for 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane is CC.Cc1cc(OCc2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane?
The InChIKey is BLNPCOXLURKLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C2H6/c1-10-8-13(11(2)14(16)15-10)17-9-12-6-4-3-5-7-12;1-2/h3-8H,9H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane?
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane has a molecular weight of 259.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane is sourced from PubChem (CID 91397869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).