1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene

C10H15BrO2P2 — CID 59068651

IUPAC1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene
SMILESCP(C)(=O)CP(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8H2,1-3H3
InChIKeyBGTGBWJEZMJJRR-UHFFFAOYSA-N
MW309.08 g/mol
LogP3.65
Rot. Bonds3

About 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene

1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene (PubChem CID 59068651) has the molecular formula C10H15BrO2P2 and a molecular weight of 309.08 g/mol. Its IUPAC name is 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene
PubChem CID59068651
Molecular FormulaC10H15BrO2P2
Molecular Weight309.08 g/mol
Exact Mass307.97
IUPAC Name1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene
SMILESCP(C)(=O)CP(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8H2,1-3H3
InChIKeyBGTGBWJEZMJJRR-UHFFFAOYSA-N
XLogP3.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 53.65
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

4-[dimethylphosphorylmethyl(methyl)phosphoryl]aniline
CID 20634554
(4-bromophenyl)-methylphosphinic acid
CID 129135167
1-bromo-4-(dimethylphosphorylmethyl)benzene
CID 58444641
2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
CID 169262128
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
1,4-dibromobenzene;oxostibane
CID 173366156
azane;1,4-dibromobenzene
CID 175259215
1-(4-bromophenyl)-1-dimethylphosphorylethanol
CID 171643720
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
[(4-bromophenyl)-phenoxyphosphoryl]methyl-dimethylazanium
CID 23413448
(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane
CID 23413529

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene?
The IUPAC name of 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene (CID 59068651) is 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene.
What is the SMILES notation for 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene?
The canonical SMILES for 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene is CP(C)(=O)CP(C)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene?
The InChIKey is BGTGBWJEZMJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2P2/c1-14(2,12)8-15(3,13)10-6-4-9(11)5-7-10/h4-7H,8H2,1-3H3.
What are the key properties of 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene?
1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene has a molecular weight of 309.08 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene is sourced from PubChem (CID 59068651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).