4-methoxybenzoic acid

Synonyms: "p-anisic acid", "100-09-4", "anisic acid", "p-methoxybenzoic acid", "draconic acid", "4-anisic acid", "para-anisic acid", "4-methoxy-benzoic acid", "4-methoxy benzoic acid", "p-methoxy benzoic acid", "methoxybenzoic acid", "p-methoxybenzoate", "p-anisic acid".

Source: 4-methoxybenzoic acid has antiseptic properties. It is also used as an intermediate in the preparation of more complex organic compounds.

Identifiers:

IUPAC Name: 4-methoxybenzoic acid
CAS Number: 100-09-4
PubChem ID: 7478
InChiKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Canonical SMILES: COC1=CC=C(C=C1)C(=O)O

Structural Properties:

Molecular Formula: C₈H₈O₃
Molecular Weight: 152.149

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 11

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

van Meeuwen JA, van Son O, Piersma AH, de Jong PC, van den Berg M. 2008. Aromatase inhibiting and combined estrogenic effects of parabens and estrogenic effects of other additives in cosmetics. Toxicol Appl Pharmacol 230(3):372-382. DOI: 10.1016/j.taap.2008.03.002. URL: https://www.sciencedirect.com/science/article/pii/S0041008X08001208.