1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one

C14H20O2 — CID 82494135

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)CC(C)C)c(C)c1C
InChIInChI=1S/C14H20O2/c1-9(2)8-13(15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9H,8H2,1-5H3
InChIKeyGLABZOAZBVWGMG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one

1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one (PubChem CID 82494135) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
PubChem CID82494135
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
SMILESCOc1ccc(C(=O)CC(C)C)c(C)c1C
InChIInChI=1S/C14H20O2/c1-9(2)8-13(15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9H,8H2,1-5H3
InChIKeyGLABZOAZBVWGMG-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutan-1-one
CID 94978273
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046
1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one (CID 82494135) is 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one is COc1ccc(C(=O)CC(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one?
The InChIKey is GLABZOAZBVWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)8-13(15)12-6-7-14(16-5)11(4)10(12)3/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one?
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 82494135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).