[3-(2-hydroxyphenyl)phenyl]boronic acid

C12H11BO3 — CID 123788338

IUPAC[3-(2-hydroxyphenyl)phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C12H11BO3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14-16H
InChIKeyBRFXTGFEKPWLSL-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.74
Rot. Bonds2

About [3-(2-hydroxyphenyl)phenyl]boronic acid

[3-(2-hydroxyphenyl)phenyl]boronic acid (PubChem CID 123788338) has the molecular formula C12H11BO3 and a molecular weight of 214.03 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)phenyl]boronic acid
PubChem CID123788338
Molecular FormulaC12H11BO3
Molecular Weight214.03 g/mol
Exact Mass214.08
IUPAC Name[3-(2-hydroxyphenyl)phenyl]boronic acid
SMILESOB(O)c1cccc(-c2ccccc2O)c1
InChIInChI=1S/C12H11BO3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14-16H
InChIKeyBRFXTGFEKPWLSL-UHFFFAOYSA-N
XLogP0.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.74
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

[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046
[3-(2-formylphenyl)phenyl]boronic acid
CID 175163500
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
2-(3-methylphenyl)phenol
CID 11206198
[3-(2,3,4-trifluorophenyl)phenyl]boronic acid
CID 67170317
(3-naphtho[2,3-b][1]benzothiol-1-ylphenyl)boronic acid
CID 142752822
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
carbanide;2-phenylphenol;titanium(3+)
CID 59317555
[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 156900613
azulene-1,5-diol
CID 71327638
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)phenyl]boronic acid?
The IUPAC name of [3-(2-hydroxyphenyl)phenyl]boronic acid (CID 123788338) is [3-(2-hydroxyphenyl)phenyl]boronic acid.
What is the SMILES notation for [3-(2-hydroxyphenyl)phenyl]boronic acid?
The canonical SMILES for [3-(2-hydroxyphenyl)phenyl]boronic acid is OB(O)c1cccc(-c2ccccc2O)c1.
What is the InChIKey of [3-(2-hydroxyphenyl)phenyl]boronic acid?
The InChIKey is BRFXTGFEKPWLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO3/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8,14-16H.
What are the key properties of [3-(2-hydroxyphenyl)phenyl]boronic acid?
[3-(2-hydroxyphenyl)phenyl]boronic acid has a molecular weight of 214.03 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)phenyl]boronic acid is sourced from PubChem (CID 123788338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).