3-ethyl-2,4-dimethylbenzoic acid

C11H14O2 — CID 70082464

IUPAC3-ethyl-2,4-dimethylbenzoic acid
SMILESCCc1c(C)ccc(C(=O)O)c1C
InChIInChI=1S/C11H14O2/c1-4-9-7(2)5-6-10(8(9)3)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZANAPSPLVKVGAH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.56
Rot. Bonds2

About 3-ethyl-2,4-dimethylbenzoic acid

3-ethyl-2,4-dimethylbenzoic acid (PubChem CID 70082464) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylbenzoic acid
PubChem CID70082464
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-ethyl-2,4-dimethylbenzoic acid
SMILESCCc1c(C)ccc(C(=O)O)c1C
InChIInChI=1S/C11H14O2/c1-4-9-7(2)5-6-10(8(9)3)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyZANAPSPLVKVGAH-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

2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
2-bromo-3-ethyl-4-methylbenzoic acid
CID 123294230
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
4-carbonoperoxoyl-3-ethyl-2-methylbenzoic acid
CID 122668907
2-ethyl-4-methyl-3-methylsulfonylbenzoic acid
CID 125468180
3-ethyl-2,4,5-trimethylbenzoic acid
CID 175228961
2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 143363973
2,3-dimethylterephthalic acid
CID 158313107
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
2-bromo-3,4-dimethylbenzoic acid
CID 20520739
2,4-dimethyl-3-(methylamino)benzoic acid
CID 144869616
3-ethylsulfonyl-2,4-dimethylbenzoic acid
CID 125468614

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylbenzoic acid?
The IUPAC name of 3-ethyl-2,4-dimethylbenzoic acid (CID 70082464) is 3-ethyl-2,4-dimethylbenzoic acid.
What is the SMILES notation for 3-ethyl-2,4-dimethylbenzoic acid?
The canonical SMILES for 3-ethyl-2,4-dimethylbenzoic acid is CCc1c(C)ccc(C(=O)O)c1C.
What is the InChIKey of 3-ethyl-2,4-dimethylbenzoic acid?
The InChIKey is ZANAPSPLVKVGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-9-7(2)5-6-10(8(9)3)11(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-ethyl-2,4-dimethylbenzoic acid?
3-ethyl-2,4-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 3-ethyl-2,4-dimethylbenzoic acid is sourced from PubChem (CID 70082464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).