bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane

C20H19Br2P — CID 135051319

IUPACbromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
SMILESCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1CBr
InChIInChI=1S/C20H19Br2P/c1-23(22,18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21/h2-15H,16H2,1H3
InChIKeyIYFUBNFVTPLXFZ-UHFFFAOYSA-N
MW450.15 g/mol
LogP5.35
Rot. Bonds4

About bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane

bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane (PubChem CID 135051319) has the molecular formula C20H19Br2P and a molecular weight of 450.15 g/mol. Its IUPAC name is bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
PubChem CID135051319
Molecular FormulaC20H19Br2P
Molecular Weight450.15 g/mol
Exact Mass447.96
IUPAC Namebromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
SMILESCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1CBr
InChIInChI=1S/C20H19Br2P/c1-23(22,18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21/h2-15H,16H2,1H3
InChIKeyIYFUBNFVTPLXFZ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.15
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
ethane;trihydroxy(diphenyl)-λ5-phosphane
CID 159842008
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane
CID 142518223
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
bromo-(1-bromoethyl)-triphenyl-lambda5-phosphane
CID 14002017
CID 71339905
CID 71339905
1,4-bis(bromomethyl)benzene;1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene;ethane
CID 145424185
methyl-(2-methylphenyl)-triphenyl-λ5-phosphane
CID 173273216
1,2-bis(bromomethyl)benzene;nitromethane
CID 160729854
bromo-tris(2-methylphenyl)-phenyl-λ5-phosphane
CID 139776623
bis(bromo-dimethanidyl-diphenyl-λ5-phosphane);bromogold
CID 134901694

Frequently Asked Questions

What is the IUPAC name of bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane?
The IUPAC name of bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane (CID 135051319) is bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane?
The canonical SMILES for bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane is CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1CBr.
What is the InChIKey of bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane?
The InChIKey is IYFUBNFVTPLXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2P/c1-23(22,18-11-4-2-5-12-18,19-13-6-3-7-14-19)20-15-9-8-10-17(20)16-21/h2-15H,16H2,1H3.
What are the key properties of bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane?
bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane has a molecular weight of 450.15 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 135051319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).