1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene

C19H14BrCl2OP — CID 134839562

IUPAC1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene
SMILESO=P(Cc1ccccc1Br)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14BrCl2OP/c20-19-4-2-1-3-14(19)13-24(23,17-9-5-15(21)6-10-17)18-11-7-16(22)8-12-18/h1-12H,13H2
InChIKeyCKXLEOIBKOFXIK-UHFFFAOYSA-N
MW440.10 g/mol
LogP6.27
Rot. Bonds4

About 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene

1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene (PubChem CID 134839562) has the molecular formula C19H14BrCl2OP and a molecular weight of 440.10 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene
PubChem CID134839562
Molecular FormulaC19H14BrCl2OP
Molecular Weight440.10 g/mol
Exact Mass437.93
IUPAC Name1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene
SMILESO=P(Cc1ccccc1Br)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14BrCl2OP/c20-19-4-2-1-3-14(19)13-24(23,17-9-5-15(21)6-10-17)18-11-7-16(22)8-12-18/h1-12H,13H2
InChIKeyCKXLEOIBKOFXIK-UHFFFAOYSA-N
XLogP6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.10
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-Bromo-5-chloro-phenyl)methyl-triphenyl-phosphonium bromide
CID 10745165
1-bromo-2-[(E)-2-diphenylphosphorylethenyl]benzene
CID 42612687
1-Bromo-2-(diphenylphosphorylmethyl)benzene
CID 12463273
Benzylbis(4-chlorophenyl)phosphine oxide
CID 145721570
2-Bromo-4-chloro-1-(1-diphenylphosphoryl-3-phenylpropa-1,2-dienyl)benzene
CID 176423789
1-Bromo-2-[3-(4-chlorophenyl)-1-diphenylphosphorylpropa-1,2-dienyl]benzene
CID 176423802
1-[2,2-Bis(4-chlorophenyl)ethenyl]-2-bromobenzene
CID 285939
(2-Bromo-5-chlorophenyl)methyl-triphenylphosphanium
CID 10745166
Bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
CID 15319831
1-Bis(3-chlorophenyl)phosphoryl-3-methylbenzene
CID 20811208
CID 89426204
CID 89426204
3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
CID 122684935

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene?
The IUPAC name of 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene (CID 134839562) is 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene.
What is the SMILES notation for 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene?
The canonical SMILES for 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene is O=P(Cc1ccccc1Br)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene?
The InChIKey is CKXLEOIBKOFXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2OP/c20-19-4-2-1-3-14(19)13-24(23,17-9-5-15(21)6-10-17)18-11-7-16(22)8-12-18/h1-12H,13H2.
What are the key properties of 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene?
1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene has a molecular weight of 440.10 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)phosphorylmethyl]-2-bromobenzene is sourced from PubChem (CID 134839562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).