1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone

C17H19NO3 — CID 106680034

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2c(C)cc(C)cc2OC)cn1
InChIInChI=1S/C17H19NO3/c1-11-7-12(2)17(15(8-11)20-3)14(19)9-13-5-6-16(21-4)18-10-13/h5-8,10H,9H2,1-4H3
InChIKeyZGOXRBBQIYOTRD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.14
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 106680034) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
PubChem CID106680034
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)c2c(C)cc(C)cc2OC)cn1
InChIInChI=1S/C17H19NO3/c1-11-7-12(2)17(15(8-11)20-3)14(19)9-13-5-6-16(21-4)18-10-13/h5-8,10H,9H2,1-4H3
InChIKeyZGOXRBBQIYOTRD-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725776
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone (CID 106680034) is 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone is COc1ccc(CC(=O)c2c(C)cc(C)cc2OC)cn1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is ZGOXRBBQIYOTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-7-12(2)17(15(8-11)20-3)14(19)9-13-5-6-16(21-4)18-10-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 285.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 106680034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).