3-(2,4-dimethylphenyl)propanoic acid

C11H14O2 — CID 3870217

IUPAC3-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(C)c1
InChIInChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyKNPUGELUZIPXCW-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.32
Rot. Bonds3

About 3-(2,4-dimethylphenyl)propanoic acid

3-(2,4-dimethylphenyl)propanoic acid (PubChem CID 3870217) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)propanoic acid
PubChem CID3870217
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-(2,4-dimethylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)O)c(C)c1
InChIInChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyKNPUGELUZIPXCW-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-[(2,4-dimethylphenyl)methylamino]propanoic acid
CID 43139974
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)propanoic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)propanoic acid (CID 3870217) is 3-(2,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)propanoic acid is Cc1ccc(CCC(=O)O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)propanoic acid?
The InChIKey is KNPUGELUZIPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-4-10(9(2)7-8)5-6-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,4-dimethylphenyl)propanoic acid?
3-(2,4-dimethylphenyl)propanoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 3870217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).