2-ethyl-4-methylbenzoic acid

C10H12O2 — CID 19886963

IUPAC2-ethyl-4-methylbenzoic acid
SMILESCCc1cc(C)ccc1C(=O)O
InChIInChI=1S/C10H12O2/c1-3-8-6-7(2)4-5-9(8)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyVCJRICKVNUJVQG-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.26
Rot. Bonds2

About 2-ethyl-4-methylbenzoic acid

2-ethyl-4-methylbenzoic acid (PubChem CID 19886963) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethyl-4-methylbenzoic acid.

Molecular Properties

Compound Name2-ethyl-4-methylbenzoic acid
PubChem CID19886963
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-ethyl-4-methylbenzoic acid
SMILESCCc1cc(C)ccc1C(=O)O
InChIInChI=1S/C10H12O2/c1-3-8-6-7(2)4-5-9(8)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyVCJRICKVNUJVQG-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-4-methylbenzoic acid
CID 71272383
4-methyl-2-tetradecylbenzoic acid
CID 174671102
2-hexyl-4-methylbenzoic acid
CID 67543918
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
3-bromo-1-(2-ethyl-4-methylphenyl)propan-1-one
CID 134624571
propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074
2,3-diethyl-5-methylbenzoic acid;ethane
CID 177056808
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
2-ethyl-4-phenoxybenzoic acid;tungsten
CID 167701074
2-but-1-en-2-yl-5-methylbenzoic acid
CID 124704761
2-ethyl-N',4-dimethylbenzenecarboximidamide
CID 145002084

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylbenzoic acid?
The IUPAC name of 2-ethyl-4-methylbenzoic acid (CID 19886963) is 2-ethyl-4-methylbenzoic acid.
What is the SMILES notation for 2-ethyl-4-methylbenzoic acid?
The canonical SMILES for 2-ethyl-4-methylbenzoic acid is CCc1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-methylbenzoic acid?
The InChIKey is VCJRICKVNUJVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-6-7(2)4-5-9(8)10(11)12/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-4-methylbenzoic acid?
2-ethyl-4-methylbenzoic acid has a molecular weight of 164.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylbenzoic acid is sourced from PubChem (CID 19886963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).