[(E)-3-phenylprop-1-enyl]boronic acid

C9H11BO2 — CID 11041016

IUPAC[(E)-3-phenylprop-1-enyl]boronic acid
SMILESOB(O)/C=C/Cc1ccccc1
InChIInChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+
InChIKeyGMGWFDHLFMBIDS-XBXARRHUSA-N
MW162.00 g/mol
LogP0.80
Rot. Bonds3

About [(E)-3-phenylprop-1-enyl]boronic acid

[(E)-3-phenylprop-1-enyl]boronic acid (PubChem CID 11041016) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is [(E)-3-phenylprop-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E)-3-phenylprop-1-enyl]boronic acid
PubChem CID11041016
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Name[(E)-3-phenylprop-1-enyl]boronic acid
SMILESOB(O)/C=C/Cc1ccccc1
InChIInChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+
InChIKeyGMGWFDHLFMBIDS-XBXARRHUSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Isobutylbenzene
CID 10870
Allylbenzene
CID 9309
trans-beta-METHYLSTYRENE
CID 252325
Hexylbenzene
CID 14109
beta-Methylstyrene
CID 12500

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-1-enyl]boronic acid?
The IUPAC name of [(E)-3-phenylprop-1-enyl]boronic acid (CID 11041016) is [(E)-3-phenylprop-1-enyl]boronic acid.
What is the SMILES notation for [(E)-3-phenylprop-1-enyl]boronic acid?
The canonical SMILES for [(E)-3-phenylprop-1-enyl]boronic acid is OB(O)/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-1-enyl]boronic acid?
The InChIKey is GMGWFDHLFMBIDS-XBXARRHUSA-N. The full InChI is InChI=1S/C9H11BO2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8,11-12H,7H2/b8-4+.
What are the key properties of [(E)-3-phenylprop-1-enyl]boronic acid?
[(E)-3-phenylprop-1-enyl]boronic acid has a molecular weight of 162.00 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-1-enyl]boronic acid is sourced from PubChem (CID 11041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).