1-chloroprop-2-enyl(diphenyl)borane

C15H14BCl — CID 88515359

IUPAC1-chloroprop-2-enyl(diphenyl)borane
SMILESC=CC(Cl)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14BCl/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15H,1H2
InChIKeyHBZNJECZKQHULP-UHFFFAOYSA-N
MW240.54 g/mol
LogP2.63
Rot. Bonds4

About 1-chloroprop-2-enyl(diphenyl)borane

1-chloroprop-2-enyl(diphenyl)borane (PubChem CID 88515359) has the molecular formula C15H14BCl and a molecular weight of 240.54 g/mol. Its IUPAC name is 1-chloroprop-2-enyl(diphenyl)borane.

Molecular Properties

Compound Name1-chloroprop-2-enyl(diphenyl)borane
PubChem CID88515359
Molecular FormulaC15H14BCl
Molecular Weight240.54 g/mol
Exact Mass240.09
IUPAC Name1-chloroprop-2-enyl(diphenyl)borane
SMILESC=CC(Cl)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14BCl/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15H,1H2
InChIKeyHBZNJECZKQHULP-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.54
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloroprop-2-enyl(diphenyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-chloro-2-fluoroethyl)-diphenylborane
CID 67927372
benzene;1-phenylprop-2-en-1-ol
CID 174884403
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-chloroprop-2-enylbenzene
CID 11768772
sodium triphenylborane
CID 14535009
1-chloroprop-2-enoxybenzene
CID 23328786
dichloromethylbenzene;ethene
CID 157063786
dichloromethylbenzene
CID 7411
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
[(3Z)-hexa-1,3,5-trien-3-yl]-diphenylborane
CID 142331512
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-2-enyl(diphenyl)borane?
The IUPAC name of 1-chloroprop-2-enyl(diphenyl)borane (CID 88515359) is 1-chloroprop-2-enyl(diphenyl)borane.
What is the SMILES notation for 1-chloroprop-2-enyl(diphenyl)borane?
The canonical SMILES for 1-chloroprop-2-enyl(diphenyl)borane is C=CC(Cl)B(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-chloroprop-2-enyl(diphenyl)borane?
The InChIKey is HBZNJECZKQHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BCl/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15H,1H2.
What are the key properties of 1-chloroprop-2-enyl(diphenyl)borane?
1-chloroprop-2-enyl(diphenyl)borane has a molecular weight of 240.54 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-2-enyl(diphenyl)borane is sourced from PubChem (CID 88515359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).