3-ethoxy-4-methoxybenzoic acid

C10H12O4 — CID 2822957

IUPAC3-ethoxy-4-methoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyDMSAIFTWQMXOBE-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.79
Rot. Bonds4

About 3-ethoxy-4-methoxybenzoic acid

3-ethoxy-4-methoxybenzoic acid (PubChem CID 2822957) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-ethoxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-ethoxy-4-methoxybenzoic acid
PubChem CID2822957
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-ethoxy-4-methoxybenzoic acid
SMILESCCOc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyDMSAIFTWQMXOBE-UHFFFAOYSA-N
XLogP1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxybenzoic acid?
The IUPAC name of 3-ethoxy-4-methoxybenzoic acid (CID 2822957) is 3-ethoxy-4-methoxybenzoic acid.
What is the SMILES notation for 3-ethoxy-4-methoxybenzoic acid?
The canonical SMILES for 3-ethoxy-4-methoxybenzoic acid is CCOc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxybenzoic acid?
The InChIKey is DMSAIFTWQMXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-ethoxy-4-methoxybenzoic acid?
3-ethoxy-4-methoxybenzoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxybenzoic acid is sourced from PubChem (CID 2822957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).