3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one

C14H14BrNO2 — CID 169449042

IUPAC3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)c(Br)c(=O)n1C
InChIInChI=1S/C14H14BrNO2/c1-10-8-12(13(15)14(17)16(10)2)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyGTGFTLRGSGHLAW-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one

3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one (PubChem CID 169449042) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
PubChem CID169449042
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC Name3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
SMILESCc1cc(OCc2ccccc2)c(Br)c(=O)n1C
InChIInChI=1S/C14H14BrNO2/c1-10-8-12(13(15)14(17)16(10)2)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyGTGFTLRGSGHLAW-UHFFFAOYSA-N
XLogP3.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
3,6-dimethyl-1-phenyl-4-phenylmethoxypyridin-2-one;ethane
CID 91419873
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
CID 143008403
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
2-(ethoxymethyl)-1,6-dimethyl-3-phenylmethoxypyridin-4-one;hydrochloride
CID 158782849
5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
CID 21090152
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398
3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
CID 165352781

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one (CID 169449042) is 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one is Cc1cc(OCc2ccccc2)c(Br)c(=O)n1C.
What is the InChIKey of 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one?
The InChIKey is GTGFTLRGSGHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-8-12(13(15)14(17)16(10)2)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one?
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one has a molecular weight of 308.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 169449042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).