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

C12H16O3 — CID 82053664

IUPAC2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOCC(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C12H16O3/c1-8-9(2)12(15-4)6-5-10(8)11(13)7-14-3/h5-6H,7H2,1-4H3
InChIKeyWVZKJJFFKCOGLU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds4

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

2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone (PubChem CID 82053664) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
PubChem CID82053664
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOCC(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C12H16O3/c1-8-9(2)12(15-4)6-5-10(8)11(13)7-14-3/h5-6H,7H2,1-4H3
InChIKeyWVZKJJFFKCOGLU-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
2-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82053775
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
1-(2,4-dimethoxy-3-methylphenyl)-3,3-dimethylbutan-1-one
CID 95461337

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone (CID 82053664) is 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone is COCC(=O)c1ccc(OC)c(C)c1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The InChIKey is WVZKJJFFKCOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-9(2)12(15-4)6-5-10(8)11(13)7-14-3/h5-6H,7H2,1-4H3.
What are the key properties of 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 82053664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).