2-ethoxy-4,6-dimethylbenzoic acid

C11H14O3 — CID 22956565

IUPAC2-ethoxy-4,6-dimethylbenzoic acid
SMILESCCOc1cc(C)cc(C)c1C(=O)O
InChIInChI=1S/C11H14O3/c1-4-14-9-6-7(2)5-8(3)10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPZVCRFXQBMRWEP-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.40
Rot. Bonds3

About 2-ethoxy-4,6-dimethylbenzoic acid

2-ethoxy-4,6-dimethylbenzoic acid (PubChem CID 22956565) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethoxy-4,6-dimethylbenzoic acid.

Molecular Properties

Compound Name2-ethoxy-4,6-dimethylbenzoic acid
PubChem CID22956565
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-ethoxy-4,6-dimethylbenzoic acid
SMILESCCOc1cc(C)cc(C)c1C(=O)O
InChIInChI=1S/C11H14O3/c1-4-14-9-6-7(2)5-8(3)10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyPZVCRFXQBMRWEP-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
methyl 2-(methoxymethoxy)-4,6-dimethylbenzoate
CID 59467026
(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 66682263
methyl 4-bromo-2-ethoxy-6-methylbenzoate
CID 133063068
6-chloro-3,4-diethoxy-2-methylbenzoic acid
CID 140590154
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
2-(difluoromethyl)-4,6-dimethylbenzoic acid
CID 131256404
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-dimethylbenzoic acid?
The IUPAC name of 2-ethoxy-4,6-dimethylbenzoic acid (CID 22956565) is 2-ethoxy-4,6-dimethylbenzoic acid.
What is the SMILES notation for 2-ethoxy-4,6-dimethylbenzoic acid?
The canonical SMILES for 2-ethoxy-4,6-dimethylbenzoic acid is CCOc1cc(C)cc(C)c1C(=O)O.
What is the InChIKey of 2-ethoxy-4,6-dimethylbenzoic acid?
The InChIKey is PZVCRFXQBMRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-14-9-6-7(2)5-8(3)10(9)11(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-ethoxy-4,6-dimethylbenzoic acid?
2-ethoxy-4,6-dimethylbenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-dimethylbenzoic acid is sourced from PubChem (CID 22956565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).