2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide

C14H9Br2O2P — CID 15339363

IUPAC2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=P1(Br)C=C(c2ccccc2)c2cc(Br)ccc2O1
InChIInChI=1S/C14H9Br2O2P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyULNPRLJAESJXSX-UHFFFAOYSA-N
MW400.01 g/mol
LogP5.82
Rot. Bonds1

About 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide

2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide (PubChem CID 15339363) has the molecular formula C14H9Br2O2P and a molecular weight of 400.01 g/mol. Its IUPAC name is 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide.

Molecular Properties

Compound Name2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
PubChem CID15339363
Molecular FormulaC14H9Br2O2P
Molecular Weight400.01 g/mol
Exact Mass397.87
IUPAC Name2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=P1(Br)C=C(c2ccccc2)c2cc(Br)ccc2O1
InChIInChI=1S/C14H9Br2O2P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyULNPRLJAESJXSX-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.01
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
CID 2221079
6-bromo-3-iodo-4-phenyl-2H-chromene
CID 139048251
6-bromo-2-phenyl-2,3-dihydro-1,3-benzoxazin-4-one
CID 176555493
2-(10,18-dibromo-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-yl)-4,6-diphenyl-1,3,5-triazine
CID 118145437
4-bromo-2-phenylcyclohepta-2,4,6-trien-1-one
CID 101071715
2,5-dibromo-1,3-diphenylbenzene
CID 142746562
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
4-bromo-2-(2-phenylphenyl)benzaldehyde
CID 175223605
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
5-bromo-1-methylidene-2-phenylindene
CID 101462800

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The IUPAC name of 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide (CID 15339363) is 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide.
What is the SMILES notation for 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The canonical SMILES for 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide is O=P1(Br)C=C(c2ccccc2)c2cc(Br)ccc2O1.
What is the InChIKey of 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The InChIKey is ULNPRLJAESJXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2O2P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide has a molecular weight of 400.01 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide is sourced from PubChem (CID 15339363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).