1-bromo-4-diethoxyphosphorylbenzene

C10H14BrO3P — CID 12625835

IUPAC1-bromo-4-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyWBJRWCXJMRZDPA-UHFFFAOYSA-N
MW293.10 g/mol
LogP3.34
Rot. Bonds5

About 1-bromo-4-diethoxyphosphorylbenzene

1-bromo-4-diethoxyphosphorylbenzene (PubChem CID 12625835) has the molecular formula C10H14BrO3P and a molecular weight of 293.10 g/mol. Its IUPAC name is 1-bromo-4-diethoxyphosphorylbenzene.

Molecular Properties

Compound Name1-bromo-4-diethoxyphosphorylbenzene
PubChem CID12625835
Molecular FormulaC10H14BrO3P
Molecular Weight293.10 g/mol
Exact Mass291.99
IUPAC Name1-bromo-4-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyWBJRWCXJMRZDPA-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphorylbenzene?
The IUPAC name of 1-bromo-4-diethoxyphosphorylbenzene (CID 12625835) is 1-bromo-4-diethoxyphosphorylbenzene.
What is the SMILES notation for 1-bromo-4-diethoxyphosphorylbenzene?
The canonical SMILES for 1-bromo-4-diethoxyphosphorylbenzene is CCOP(=O)(OCC)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-diethoxyphosphorylbenzene?
The InChIKey is WBJRWCXJMRZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-bromo-4-diethoxyphosphorylbenzene?
1-bromo-4-diethoxyphosphorylbenzene has a molecular weight of 293.10 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-diethoxyphosphorylbenzene is sourced from PubChem (CID 12625835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).