bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane

C22H22BrP — CID 140774468

IUPACbromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane
SMILESCC(C)=CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrP/c1-19(2)18-24(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyRXBPJTWLPBKPLD-UHFFFAOYSA-N
MW397.30 g/mol
LogP5.75
Rot. Bonds4

About bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane

bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane (PubChem CID 140774468) has the molecular formula C22H22BrP and a molecular weight of 397.30 g/mol. Its IUPAC name is bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane
PubChem CID140774468
Molecular FormulaC22H22BrP
Molecular Weight397.30 g/mol
Exact Mass396.06
IUPAC Namebromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane
SMILESCC(C)=CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22BrP/c1-19(2)18-24(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3
InChIKeyRXBPJTWLPBKPLD-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.30
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane?
The IUPAC name of bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane (CID 140774468) is bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane is CC(C)=CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane?
The InChIKey is RXBPJTWLPBKPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrP/c1-19(2)18-24(23,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,1-2H3.
What are the key properties of bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane?
bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane has a molecular weight of 397.30 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2-methylprop-1-enyl)-triphenyl-λ5-phosphane is sourced from PubChem (CID 140774468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).