[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid

C15H12BNO3 — CID 158588460

IUPAC[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid
SMILESC=Cc1cc(Oc2ccc(C#N)cc2)ccc1B(O)O
InChIInChI=1S/C15H12BNO3/c1-2-12-9-14(7-8-15(12)16(18)19)20-13-5-3-11(10-17)4-6-13/h2-9,18-19H,1H2
InChIKeyHUDBCIFWQYLTFM-UHFFFAOYSA-N
MW265.08 g/mol
LogP1.67
Rot. Bonds4

About [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid

[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid (PubChem CID 158588460) has the molecular formula C15H12BNO3 and a molecular weight of 265.08 g/mol. Its IUPAC name is [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid
PubChem CID158588460
Molecular FormulaC15H12BNO3
Molecular Weight265.08 g/mol
Exact Mass265.09
IUPAC Name[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid
SMILESC=Cc1cc(Oc2ccc(C#N)cc2)ccc1B(O)O
InChIInChI=1S/C15H12BNO3/c1-2-12-9-14(7-8-15(12)16(18)19)20-13-5-3-11(10-17)4-6-13/h2-9,18-19H,1H2
InChIKeyHUDBCIFWQYLTFM-UHFFFAOYSA-N
XLogP1.67
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-4-(4-cyanophenoxy)phenyl]boronic acid
CID 155775187
[4-(4-cyanophenoxy)phenyl]boronic acid
CID 23642221
4-[3,4-bis(ethenyl)phenoxy]-1,2-bis(ethenyl)benzene
CID 171717400
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
[2-bromo-5-[4-(4-cyanophenoxy)-2-formylphenoxy]phenyl] acetate
CID 175674958
4-(8-methylnaphthalen-2-yl)oxybenzonitrile
CID 126674699
[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-[2-[[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-[[4-(4-cyanophenoxy)-2-(hydroxymethyl)phenyl]-hydroxyboranyl]oxyboranyl]pentan-2-yloxy]borinic acid
CID 90327135
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid?
The IUPAC name of [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid (CID 158588460) is [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid.
What is the SMILES notation for [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid?
The canonical SMILES for [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid is C=Cc1cc(Oc2ccc(C#N)cc2)ccc1B(O)O.
What is the InChIKey of [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid?
The InChIKey is HUDBCIFWQYLTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BNO3/c1-2-12-9-14(7-8-15(12)16(18)19)20-13-5-3-11(10-17)4-6-13/h2-9,18-19H,1H2.
What are the key properties of [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid?
[4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid has a molecular weight of 265.08 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenoxy)-2-ethenylphenyl]boronic acid is sourced from PubChem (CID 158588460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).