methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate

C15H20O4 — CID 116923616

IUPACmethyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
SMILESCCC(C(=O)OC)C(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H20O4/c1-6-11(15(17)19-5)14(16)12-7-8-13(18-4)10(3)9(12)2/h7-8,11H,6H2,1-5H3
InChIKeyZUIGGAGZAUQTNU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate

methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate (PubChem CID 116923616) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
PubChem CID116923616
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
SMILESCCC(C(=O)OC)C(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C15H20O4/c1-6-11(15(17)19-5)14(16)12-7-8-13(18-4)10(3)9(12)2/h7-8,11H,6H2,1-5H3
InChIKeyZUIGGAGZAUQTNU-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3,4-trimethylbenzoyl)butanoate
CID 116923635
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
2-(aminomethyl)-1-(2,4-dimethoxy-3-methylphenyl)butan-1-one
CID 116923190
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate?
The IUPAC name of methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate (CID 116923616) is methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate.
What is the SMILES notation for methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate?
The canonical SMILES for methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate is CCC(C(=O)OC)C(=O)c1ccc(OC)c(C)c1C.
What is the InChIKey of methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate?
The InChIKey is ZUIGGAGZAUQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-6-11(15(17)19-5)14(16)12-7-8-13(18-4)10(3)9(12)2/h7-8,11H,6H2,1-5H3.
What are the key properties of methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate?
methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate has a molecular weight of 264.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate is sourced from PubChem (CID 116923616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).