1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone

C16H17NO2 — CID 118546342

IUPAC1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
SMILESCC(=O)c1c(C)cc(C)nc1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-11-9-12(2)17-16(15(11)13(3)18)19-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyLUHMVVMLANCUCV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.48
Rot. Bonds4

About 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone

1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone (PubChem CID 118546342) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
PubChem CID118546342
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
SMILESCC(=O)c1c(C)cc(C)nc1OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-11-9-12(2)17-16(15(11)13(3)18)19-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyLUHMVVMLANCUCV-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

N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
4,6-dimethyl-2-phenylmethoxypyridine-3-carboxylic acid;phenyl 4,6-dimethyl-2-phenylmethoxypyridine-3-carboxylate;2,4,6-trichlorobenzoyl chloride
CID 161026117
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
N-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62291538
2-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)-1H-benzimidazole
CID 169002843
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
6-methyl-3-nitro-2-phenylmethoxypyridin-4-amine
CID 140911567
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone (CID 118546342) is 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone is CC(=O)c1c(C)cc(C)nc1OCc1ccccc1.
What is the InChIKey of 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone?
The InChIKey is LUHMVVMLANCUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-9-12(2)17-16(15(11)13(3)18)19-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone?
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)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-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 118546342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).