[4-(hydroxymethyl)phenyl]boronic acid

C7H9BO3 — CID 2734706

IUPAC[4-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1ccc(B(O)O)cc1
InChIInChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChIKeyPZRPBPMLSSNFOM-UHFFFAOYSA-N
MW151.96 g/mol
LogP-1.14
Rot. Bonds2

About [4-(hydroxymethyl)phenyl]boronic acid

[4-(hydroxymethyl)phenyl]boronic acid (PubChem CID 2734706) has the molecular formula C7H9BO3 and a molecular weight of 151.96 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]boronic acid
PubChem CID2734706
Molecular FormulaC7H9BO3
Molecular Weight151.96 g/mol
Exact Mass152.06
IUPAC Name[4-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1ccc(B(O)O)cc1
InChIInChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2
InChIKeyPZRPBPMLSSNFOM-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'}

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Tavaborole
CID 11499245
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
1-Phenylethanol, (R)-
CID 637516
3-Methylbenzyl alcohol
CID 11476
2-Pentylcinnamic alcohol
CID 5368491

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]boronic acid?
The IUPAC name of [4-(hydroxymethyl)phenyl]boronic acid (CID 2734706) is [4-(hydroxymethyl)phenyl]boronic acid.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]boronic acid?
The canonical SMILES for [4-(hydroxymethyl)phenyl]boronic acid is OCc1ccc(B(O)O)cc1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]boronic acid?
The InChIKey is PZRPBPMLSSNFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9-11H,5H2.
What are the key properties of [4-(hydroxymethyl)phenyl]boronic acid?
[4-(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 [4-(hydroxymethyl)phenyl]boronic acid is sourced from PubChem (CID 2734706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).