1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone

C16H17NO2 — CID 79267704

IUPAC1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cccc(C)n1
InChIInChI=1S/C16H17NO2/c1-11-7-8-15(13(3)18)16(9-11)19-10-14-6-4-5-12(2)17-14/h4-9H,10H2,1-3H3
InChIKeyVCQKERQTNAERNF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone

1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone (PubChem CID 79267704) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
PubChem CID79267704
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cccc(C)n1
InChIInChI=1S/C16H17NO2/c1-11-7-8-15(13(3)18)16(9-11)19-10-14-6-4-5-12(2)17-14/h4-9H,10H2,1-3H3
InChIKeyVCQKERQTNAERNF-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
potassium trifluoro-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 79263387
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
CID 63984894
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
CID 55151683
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
N-ethyl-1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79262667
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone (CID 79267704) is 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(C)cc1OCc1cccc(C)n1.
What is the InChIKey of 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
The InChIKey is VCQKERQTNAERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-8-15(13(3)18)16(9-11)19-10-14-6-4-5-12(2)17-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone?
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 79267704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).