[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid

C20H17BO2 — CID 175403932

IUPAC[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccccc2C=Cc2ccccc2)cc1
InChIInChI=1S/C20H17BO2/c22-21(23)19-14-12-18(13-15-19)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-15,22-23H
InChIKeySRHYUXPLSXSIKX-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.20
Rot. Bonds4

About [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid

[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid (PubChem CID 175403932) has the molecular formula C20H17BO2 and a molecular weight of 300.17 g/mol. Its IUPAC name is [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid
PubChem CID175403932
Molecular FormulaC20H17BO2
Molecular Weight300.17 g/mol
Exact Mass300.13
IUPAC Name[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid
SMILESOB(O)c1ccc(-c2ccccc2C=Cc2ccccc2)cc1
InChIInChI=1S/C20H17BO2/c22-21(23)19-14-12-18(13-15-19)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-15,22-23H
InChIKeySRHYUXPLSXSIKX-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
CID 22400848
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
CID 160728696
2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid?
The IUPAC name of [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid (CID 175403932) is [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid.
What is the SMILES notation for [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid?
The canonical SMILES for [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid is OB(O)c1ccc(-c2ccccc2C=Cc2ccccc2)cc1.
What is the InChIKey of [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid?
The InChIKey is SRHYUXPLSXSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BO2/c22-21(23)19-14-12-18(13-15-19)20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-15,22-23H.
What are the key properties of [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid?
[4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid has a molecular weight of 300.17 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-phenylethenyl)phenyl]phenyl]boronic acid is sourced from PubChem (CID 175403932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).