3-ethoxy-2,4-dimethoxybenzoic acid

C11H14O5 — CID 171009382

IUPAC3-ethoxy-2,4-dimethoxybenzoic acid
SMILESCCOc1c(OC)ccc(C(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-4-16-10-8(14-2)6-5-7(11(12)13)9(10)15-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyJEUWVPHIIBKSCF-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.80
Rot. Bonds5

About 3-ethoxy-2,4-dimethoxybenzoic acid

3-ethoxy-2,4-dimethoxybenzoic acid (PubChem CID 171009382) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-ethoxy-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name3-ethoxy-2,4-dimethoxybenzoic acid
PubChem CID171009382
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-ethoxy-2,4-dimethoxybenzoic acid
SMILESCCOc1c(OC)ccc(C(=O)O)c1OC
InChIInChI=1S/C11H14O5/c1-4-16-10-8(14-2)6-5-7(11(12)13)9(10)15-3/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyJEUWVPHIIBKSCF-UHFFFAOYSA-N
XLogP1.80
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
3-ethoxy-1-iodo-2,4-dimethoxybenzene
CID 118835970
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
1-(2-ethoxy-3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117419569
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
methyl 2,3,4-trimethoxybenzenecarboperoxoate
CID 173266032
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
3-[[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]methoxy]-2,4-dimethoxybenzoic acid
CID 176768268

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4-dimethoxybenzoic acid?
The IUPAC name of 3-ethoxy-2,4-dimethoxybenzoic acid (CID 171009382) is 3-ethoxy-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 3-ethoxy-2,4-dimethoxybenzoic acid?
The canonical SMILES for 3-ethoxy-2,4-dimethoxybenzoic acid is CCOc1c(OC)ccc(C(=O)O)c1OC.
What is the InChIKey of 3-ethoxy-2,4-dimethoxybenzoic acid?
The InChIKey is JEUWVPHIIBKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-16-10-8(14-2)6-5-7(11(12)13)9(10)15-3/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 3-ethoxy-2,4-dimethoxybenzoic acid?
3-ethoxy-2,4-dimethoxybenzoic acid has a molecular weight of 226.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 171009382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).