[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane

C21H18BrP — CID 175898296

IUPAC[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
SMILESBrC=CCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrP/c22-17-9-11-18-10-7-8-16-21(18)23(19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-10,12-17H,11H2
InChIKeyWWWJXUMYHSTCDK-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.90
Rot. Bonds5

About [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane

[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane (PubChem CID 175898296) has the molecular formula C21H18BrP and a molecular weight of 381.25 g/mol. Its IUPAC name is [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
PubChem CID175898296
Molecular FormulaC21H18BrP
Molecular Weight381.25 g/mol
Exact Mass380.03
IUPAC Name[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
SMILESBrC=CCc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18BrP/c22-17-9-11-18-10-7-8-16-21(18)23(19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-10,12-17H,11H2
InChIKeyWWWJXUMYHSTCDK-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane (CID 175898296) is [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane is BrC=CCc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane?
The InChIKey is WWWJXUMYHSTCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrP/c22-17-9-11-18-10-7-8-16-21(18)23(19-12-3-1-4-13-19)20-14-5-2-6-15-20/h1-10,12-17H,11H2.
What are the key properties of [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane?
[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane has a molecular weight of 381.25 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 175898296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).