4-methoxybenzoic acid

C8H8O3 — CID 7478

IUPAC4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZEYHEAKUIGZSGI-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.39
Rot. Bonds2

About 4-methoxybenzoic acid

4-methoxybenzoic acid (PubChem CID 7478) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-methoxybenzoic acid.

Molecular Properties

Compound Name4-methoxybenzoic acid
PubChem CID7478
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZEYHEAKUIGZSGI-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzoic acid?
The IUPAC name of 4-methoxybenzoic acid (CID 7478) is 4-methoxybenzoic acid.
What is the SMILES notation for 4-methoxybenzoic acid?
The canonical SMILES for 4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-methoxybenzoic acid?
The InChIKey is ZEYHEAKUIGZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of 4-methoxybenzoic acid?
4-methoxybenzoic acid has a molecular weight of 152.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzoic acid is sourced from PubChem (CID 7478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).