diphenyl(prop-2-enyl)borane

C15H15B — CID 15753716

IUPACdiphenyl(prop-2-enyl)borane
SMILESC=CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15B/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2
InChIKeyBVBIBDVZTRIGJY-UHFFFAOYSA-N
MW206.10 g/mol
LogP2.48
Rot. Bonds4

About diphenyl(prop-2-enyl)borane

diphenyl(prop-2-enyl)borane (PubChem CID 15753716) has the molecular formula C15H15B and a molecular weight of 206.10 g/mol. Its IUPAC name is diphenyl(prop-2-enyl)borane.

Molecular Properties

Compound Namediphenyl(prop-2-enyl)borane
PubChem CID15753716
Molecular FormulaC15H15B
Molecular Weight206.10 g/mol
Exact Mass206.13
IUPAC Namediphenyl(prop-2-enyl)borane
SMILESC=CCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15B/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2
InChIKeyBVBIBDVZTRIGJY-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(prop-2-enyl)borane?
The IUPAC name of diphenyl(prop-2-enyl)borane (CID 15753716) is diphenyl(prop-2-enyl)borane.
What is the SMILES notation for diphenyl(prop-2-enyl)borane?
The canonical SMILES for diphenyl(prop-2-enyl)borane is C=CCB(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(prop-2-enyl)borane?
The InChIKey is BVBIBDVZTRIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15B/c1-2-13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2.
What are the key properties of diphenyl(prop-2-enyl)borane?
diphenyl(prop-2-enyl)borane has a molecular weight of 206.10 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(prop-2-enyl)borane is sourced from PubChem (CID 15753716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).