2-ethyl-3,6-dimethoxybenzoic acid

C11H14O4 — CID 84677566

IUPAC2-ethyl-3,6-dimethoxybenzoic acid
SMILESCCc1c(OC)ccc(OC)c1C(=O)O
InChIInChI=1S/C11H14O4/c1-4-7-8(14-2)5-6-9(15-3)10(7)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyYQNCPFREDUFDDZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.96
Rot. Bonds4

About 2-ethyl-3,6-dimethoxybenzoic acid

2-ethyl-3,6-dimethoxybenzoic acid (PubChem CID 84677566) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-ethyl-3,6-dimethoxybenzoic acid
PubChem CID84677566
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-ethyl-3,6-dimethoxybenzoic acid
SMILESCCc1c(OC)ccc(OC)c1C(=O)O
InChIInChI=1S/C11H14O4/c1-4-7-8(14-2)5-6-9(15-3)10(7)11(12)13/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyYQNCPFREDUFDDZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
2-(aminomethyl)-6-cyano-3-methoxybenzoic acid
CID 134651893
2-(2-carboxyethyl)-6-fluoro-3-methoxybenzoic acid
CID 82159379
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethoxybenzoic acid?
The IUPAC name of 2-ethyl-3,6-dimethoxybenzoic acid (CID 84677566) is 2-ethyl-3,6-dimethoxybenzoic acid.
What is the SMILES notation for 2-ethyl-3,6-dimethoxybenzoic acid?
The canonical SMILES for 2-ethyl-3,6-dimethoxybenzoic acid is CCc1c(OC)ccc(OC)c1C(=O)O.
What is the InChIKey of 2-ethyl-3,6-dimethoxybenzoic acid?
The InChIKey is YQNCPFREDUFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-7-8(14-2)5-6-9(15-3)10(7)11(12)13/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-ethyl-3,6-dimethoxybenzoic acid?
2-ethyl-3,6-dimethoxybenzoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dimethoxybenzoic acid is sourced from PubChem (CID 84677566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).