[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid

C12H11BN2O3 — CID 135709836

IUPAC[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid
SMILESOB(O)c1cccc(/N=N/c2ccc(O)cc2)c1
InChIInChI=1S/C12H11BN2O3/c16-12-6-4-10(5-7-12)14-15-11-3-1-2-9(8-11)13(17)18/h1-8,16-18H/b15-14+
InChIKeySCBQEMSFONUNEP-CCEZHUSRSA-N
MW242.04 g/mol
LogP1.49
Rot. Bonds3

About [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid

[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid (PubChem CID 135709836) has the molecular formula C12H11BN2O3 and a molecular weight of 242.04 g/mol. Its IUPAC name is [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid
PubChem CID135709836
Molecular FormulaC12H11BN2O3
Molecular Weight242.04 g/mol
Exact Mass242.09
IUPAC Name[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid
SMILESOB(O)c1cccc(/N=N/c2ccc(O)cc2)c1
InChIInChI=1S/C12H11BN2O3/c16-12-6-4-10(5-7-12)14-15-11-3-1-2-9(8-11)13(17)18/h1-8,16-18H/b15-14+
InChIKeySCBQEMSFONUNEP-CCEZHUSRSA-N
XLogP1.49
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid?
The IUPAC name of [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid (CID 135709836) is [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid.
What is the SMILES notation for [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid?
The canonical SMILES for [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid is OB(O)c1cccc(/N=N/c2ccc(O)cc2)c1.
What is the InChIKey of [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid?
The InChIKey is SCBQEMSFONUNEP-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11BN2O3/c16-12-6-4-10(5-7-12)14-15-11-3-1-2-9(8-11)13(17)18/h1-8,16-18H/b15-14+.
What are the key properties of [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid?
[3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid has a molecular weight of 242.04 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-hydroxyphenyl)diazenyl]phenyl]boronic acid is sourced from PubChem (CID 135709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).