2-ethyl-3,4-dimethylbenzoic acid

C11H14O2 — CID 58433951

IUPAC2-ethyl-3,4-dimethylbenzoic acid
SMILESCCc1c(C(=O)O)ccc(C)c1C
InChIInChI=1S/C11H14O2/c1-4-9-8(3)7(2)5-6-10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyLHFIAFUBXAXYKA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.56
Rot. Bonds2

About 2-ethyl-3,4-dimethylbenzoic acid

2-ethyl-3,4-dimethylbenzoic acid (PubChem CID 58433951) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethyl-3,4-dimethylbenzoic acid.

Molecular Properties

Compound Name2-ethyl-3,4-dimethylbenzoic acid
PubChem CID58433951
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-ethyl-3,4-dimethylbenzoic acid
SMILESCCc1c(C(=O)O)ccc(C)c1C
InChIInChI=1S/C11H14O2/c1-4-9-8(3)7(2)5-6-10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyLHFIAFUBXAXYKA-UHFFFAOYSA-N
XLogP2.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
2-ethyl-4-methyl-3-methylsulfonylbenzoic acid
CID 125468180
2-bromo-3-ethyl-4-methylbenzoic acid
CID 123294230
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
3-ethyl-2,4,5-trimethylbenzoic acid
CID 175228961
4-carbonoperoxoyl-3-ethyl-2-methylbenzoic acid
CID 122668907
2,3-diethyl-4-hydroxybenzoic acid
CID 66720477
4-cyclobutyl-2-ethyl-3-methylbenzoic acid
CID 142717981
1,2-diethyl-3,4-dimethylbenzene
CID 590292
2-fluoro-3,4-dimethylbenzoic acid
CID 58240541

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dimethylbenzoic acid?
The IUPAC name of 2-ethyl-3,4-dimethylbenzoic acid (CID 58433951) is 2-ethyl-3,4-dimethylbenzoic acid.
What is the SMILES notation for 2-ethyl-3,4-dimethylbenzoic acid?
The canonical SMILES for 2-ethyl-3,4-dimethylbenzoic acid is CCc1c(C(=O)O)ccc(C)c1C.
What is the InChIKey of 2-ethyl-3,4-dimethylbenzoic acid?
The InChIKey is LHFIAFUBXAXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-9-8(3)7(2)5-6-10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-3,4-dimethylbenzoic acid?
2-ethyl-3,4-dimethylbenzoic acid has a molecular weight of 178.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dimethylbenzoic acid is sourced from PubChem (CID 58433951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).