(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C17H19NO2 — CID 106680064

IUPAC(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCCc1cnccc1C(=O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19NO2/c1-5-13-10-18-7-6-14(13)17(19)16-12(3)8-11(2)9-15(16)20-4/h6-10H,5H2,1-4H3
InChIKeyHGXZGLASPPVRBG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.50
Rot. Bonds4

About (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106680064) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106680064
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCCc1cnccc1C(=O)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19NO2/c1-5-13-10-18-7-6-14(13)17(19)16-12(3)8-11(2)9-15(16)20-4/h6-10H,5H2,1-4H3
InChIKeyHGXZGLASPPVRBG-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681934
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
CID 106680059
[(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682819
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106680064) is (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone is CCc1cnccc1C(=O)c1c(C)cc(C)cc1OC.
What is the InChIKey of (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is HGXZGLASPPVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-13-10-18-7-6-14(13)17(19)16-12(3)8-11(2)9-15(16)20-4/h6-10H,5H2,1-4H3.
What are the key properties of (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106680064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).