1-bromo-4-dimethylphosphorylbenzene

C8H10BrOP — CID 59131561

IUPAC1-bromo-4-dimethylphosphorylbenzene
SMILESCP(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyVVPOOPJRWPTMGB-UHFFFAOYSA-N
MW233.05 g/mol
LogP2.70
Rot. Bonds1

About 1-bromo-4-dimethylphosphorylbenzene

1-bromo-4-dimethylphosphorylbenzene (PubChem CID 59131561) has the molecular formula C8H10BrOP and a molecular weight of 233.05 g/mol. Its IUPAC name is 1-bromo-4-dimethylphosphorylbenzene.

Molecular Properties

Compound Name1-bromo-4-dimethylphosphorylbenzene
PubChem CID59131561
Molecular FormulaC8H10BrOP
Molecular Weight233.05 g/mol
Exact Mass231.97
IUPAC Name1-bromo-4-dimethylphosphorylbenzene
SMILESCP(C)(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyVVPOOPJRWPTMGB-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-dimethylphosphorylbenzene?
The IUPAC name of 1-bromo-4-dimethylphosphorylbenzene (CID 59131561) is 1-bromo-4-dimethylphosphorylbenzene.
What is the SMILES notation for 1-bromo-4-dimethylphosphorylbenzene?
The canonical SMILES for 1-bromo-4-dimethylphosphorylbenzene is CP(C)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-dimethylphosphorylbenzene?
The InChIKey is VVPOOPJRWPTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of 1-bromo-4-dimethylphosphorylbenzene?
1-bromo-4-dimethylphosphorylbenzene has a molecular weight of 233.05 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-dimethylphosphorylbenzene is sourced from PubChem (CID 59131561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).