[4-(2,2-diphenylethenyl)phenoxy]boronic acid

C20H17BO3 — CID 23020580

IUPAC[4-(2,2-diphenylethenyl)phenoxy]boronic acid
SMILESOB(O)Oc1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17BO3/c22-21(23)24-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22-23H
InChIKeyXCBIWGCZRNSFDL-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.62
Rot. Bonds5

About [4-(2,2-diphenylethenyl)phenoxy]boronic acid

[4-(2,2-diphenylethenyl)phenoxy]boronic acid (PubChem CID 23020580) has the molecular formula C20H17BO3 and a molecular weight of 316.17 g/mol. Its IUPAC name is [4-(2,2-diphenylethenyl)phenoxy]boronic acid.

Molecular Properties

Compound Name[4-(2,2-diphenylethenyl)phenoxy]boronic acid
PubChem CID23020580
Molecular FormulaC20H17BO3
Molecular Weight316.17 g/mol
Exact Mass316.13
IUPAC Name[4-(2,2-diphenylethenyl)phenoxy]boronic acid
SMILESOB(O)Oc1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17BO3/c22-21(23)24-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22-23H
InChIKeyXCBIWGCZRNSFDL-UHFFFAOYSA-N
XLogP3.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-phenylethenyl]phenoxy]boronic acid
CID 139821180
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 173126547
CID 173126547
CID 172843956
CID 172843956
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
boric acid;2,3-dimethylbutane-2,3-diol;1,2-diphenylethenylbenzene
CID 175481277
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
(E)-3-[4-(2,2-diphenylethenyl)phenyl]-2-hydroxyprop-2-enenitrile
CID 144583765
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
2-(2,2-diphenylethenyl)anthracene
CID 155667641
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-diphenylethenyl)phenoxy]boronic acid?
The IUPAC name of [4-(2,2-diphenylethenyl)phenoxy]boronic acid (CID 23020580) is [4-(2,2-diphenylethenyl)phenoxy]boronic acid.
What is the SMILES notation for [4-(2,2-diphenylethenyl)phenoxy]boronic acid?
The canonical SMILES for [4-(2,2-diphenylethenyl)phenoxy]boronic acid is OB(O)Oc1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(2,2-diphenylethenyl)phenoxy]boronic acid?
The InChIKey is XCBIWGCZRNSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BO3/c22-21(23)24-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,22-23H.
What are the key properties of [4-(2,2-diphenylethenyl)phenoxy]boronic acid?
[4-(2,2-diphenylethenyl)phenoxy]boronic acid has a molecular weight of 316.17 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-diphenylethenyl)phenoxy]boronic acid is sourced from PubChem (CID 23020580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).