[3-(hydroxymethyl)phenyl]boronic acid

C7H9BO3 — CID 2734662

IUPAC[3-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1cccc(B(O)O)c1
InChIInChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2
InChIKeyHGTDLKXUWVKLQX-UHFFFAOYSA-N
MW151.96 g/mol
LogP-1.14
Rot. Bonds2

About [3-(hydroxymethyl)phenyl]boronic acid

[3-(hydroxymethyl)phenyl]boronic acid (PubChem CID 2734662) has the molecular formula C7H9BO3 and a molecular weight of 151.96 g/mol. Its IUPAC name is [3-(hydroxymethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(hydroxymethyl)phenyl]boronic acid
PubChem CID2734662
Molecular FormulaC7H9BO3
Molecular Weight151.96 g/mol
Exact Mass152.06
IUPAC Name[3-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1cccc(B(O)O)c1
InChIInChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2
InChIKeyHGTDLKXUWVKLQX-UHFFFAOYSA-N
XLogP-1.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.96
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(hydroxymethyl)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)phenyl]boronic acid?
The IUPAC name of [3-(hydroxymethyl)phenyl]boronic acid (CID 2734662) is [3-(hydroxymethyl)phenyl]boronic acid.
What is the SMILES notation for [3-(hydroxymethyl)phenyl]boronic acid?
The canonical SMILES for [3-(hydroxymethyl)phenyl]boronic acid is OCc1cccc(B(O)O)c1.
What is the InChIKey of [3-(hydroxymethyl)phenyl]boronic acid?
The InChIKey is HGTDLKXUWVKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9-11H,5H2.
What are the key properties of [3-(hydroxymethyl)phenyl]boronic acid?
[3-(hydroxymethyl)phenyl]boronic acid has a molecular weight of 151.96 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)phenyl]boronic acid is sourced from PubChem (CID 2734662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).