hydroxymethoxy(phenyl)borinic acid

C7H9BO3 — CID 66666392

IUPAChydroxymethoxy(phenyl)borinic acid
SMILESOCOB(O)c1ccccc1
InChIInChI=1S/C7H9BO3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKeySUHCFIAVQXYETN-UHFFFAOYSA-N
MW151.96 g/mol
LogP-0.66
Rot. Bonds3

About hydroxymethoxy(phenyl)borinic acid

hydroxymethoxy(phenyl)borinic acid (PubChem CID 66666392) has the molecular formula C7H9BO3 and a molecular weight of 151.96 g/mol. Its IUPAC name is hydroxymethoxy(phenyl)borinic acid.

Molecular Properties

Compound Namehydroxymethoxy(phenyl)borinic acid
PubChem CID66666392
Molecular FormulaC7H9BO3
Molecular Weight151.96 g/mol
Exact Mass152.06
IUPAC Namehydroxymethoxy(phenyl)borinic acid
SMILESOCOB(O)c1ccccc1
InChIInChI=1S/C7H9BO3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChIKeySUHCFIAVQXYETN-UHFFFAOYSA-N
XLogP-0.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.96
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethoxy(phenyl)borinic acid?
The IUPAC name of hydroxymethoxy(phenyl)borinic acid (CID 66666392) is hydroxymethoxy(phenyl)borinic acid.
What is the SMILES notation for hydroxymethoxy(phenyl)borinic acid?
The canonical SMILES for hydroxymethoxy(phenyl)borinic acid is OCOB(O)c1ccccc1.
What is the InChIKey of hydroxymethoxy(phenyl)borinic acid?
The InChIKey is SUHCFIAVQXYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5,9-10H,6H2.
What are the key properties of hydroxymethoxy(phenyl)borinic acid?
hydroxymethoxy(phenyl)borinic acid has a molecular weight of 151.96 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxy(phenyl)borinic acid is sourced from PubChem (CID 66666392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).