ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate

C15H22O2 — CID 55120967

IUPACethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C15H22O2/c1-6-17-15(16)14(10(2)3)13-8-7-11(4)9-12(13)5/h7-10,14H,6H2,1-5H3
InChIKeyHAIQTPSWAHQTLQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds4

About ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate

ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate (PubChem CID 55120967) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
PubChem CID55120967
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C15H22O2/c1-6-17-15(16)14(10(2)3)13-8-7-11(4)9-12(13)5/h7-10,14H,6H2,1-5H3
InChIKeyHAIQTPSWAHQTLQ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
ethyl 3-methyl-2-(2,3,4-trifluorophenyl)butanoate
CID 62963748
[(1S)-1-(2,4-dimethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046984
ethyl 2-(2,5-dichlorophenyl)-3-methylbutanoate
CID 55195804
ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
CID 66206133
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
ethyl (3R)-2-(4-chloro-2-methylphenyl)-4,4,4-trifluoro-3-methylbutanoate
CID 58288191
ethyl 2-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 55084921
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate?
The IUPAC name of ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate (CID 55120967) is ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate is CCOC(=O)C(c1ccc(C)cc1C)C(C)C.
What is the InChIKey of ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate?
The InChIKey is HAIQTPSWAHQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-17-15(16)14(10(2)3)13-8-7-11(4)9-12(13)5/h7-10,14H,6H2,1-5H3.
What are the key properties of ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate?
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate has a molecular weight of 234.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate is sourced from PubChem (CID 55120967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).