3-methoxybenzoic acid

C8H8O3 — CID 11461

IUPAC3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1
InChIInChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyXHQZJYCNDZAGLW-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.39
Rot. Bonds2

About 3-methoxybenzoic acid

3-methoxybenzoic acid (PubChem CID 11461) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-methoxybenzoic acid.

Molecular Properties

Compound Name3-methoxybenzoic acid
PubChem CID11461
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1
InChIInChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyXHQZJYCNDZAGLW-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybenzoic acid?
The IUPAC name of 3-methoxybenzoic acid (CID 11461) is 3-methoxybenzoic acid.
What is the SMILES notation for 3-methoxybenzoic acid?
The canonical SMILES for 3-methoxybenzoic acid is COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-methoxybenzoic acid?
The InChIKey is XHQZJYCNDZAGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of 3-methoxybenzoic acid?
3-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 3-methoxybenzoic acid is sourced from PubChem (CID 11461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).