2-(hydroxymethyl)benzoic acid

C8H8O3 — CID 11920

IUPAC2-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1CO
InChIInChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyMGMNPSAERQZUIM-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.88
Rot. Bonds2

About 2-(hydroxymethyl)benzoic acid

2-(hydroxymethyl)benzoic acid (PubChem CID 11920) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)benzoic acid
PubChem CID11920
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2-(hydroxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1CO
InChIInChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKeyMGMNPSAERQZUIM-UHFFFAOYSA-N
XLogP0.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)benzoic acid?
The IUPAC name of 2-(hydroxymethyl)benzoic acid (CID 11920) is 2-(hydroxymethyl)benzoic acid.
What is the SMILES notation for 2-(hydroxymethyl)benzoic acid?
The canonical SMILES for 2-(hydroxymethyl)benzoic acid is O=C(O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)benzoic acid?
The InChIKey is MGMNPSAERQZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11).
What are the key properties of 2-(hydroxymethyl)benzoic acid?
2-(hydroxymethyl)benzoic acid has a molecular weight of 152.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 11920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).