(4-bromophenyl)-ethoxyphosphinic acid

C8H10BrO3P — CID 118202175

IUPAC(4-bromophenyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrO3P/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyDTZCKHOTJOOBMD-UHFFFAOYSA-N
MW265.04 g/mol
LogP2.30
Rot. Bonds3

About (4-bromophenyl)-ethoxyphosphinic acid

(4-bromophenyl)-ethoxyphosphinic acid (PubChem CID 118202175) has the molecular formula C8H10BrO3P and a molecular weight of 265.04 g/mol. Its IUPAC name is (4-bromophenyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(4-bromophenyl)-ethoxyphosphinic acid
PubChem CID118202175
Molecular FormulaC8H10BrO3P
Molecular Weight265.04 g/mol
Exact Mass263.96
IUPAC Name(4-bromophenyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)c1ccc(Br)cc1
InChIInChI=1S/C8H10BrO3P/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,11)
InChIKeyDTZCKHOTJOOBMD-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.04
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-ethoxyphosphinic acid?
The IUPAC name of (4-bromophenyl)-ethoxyphosphinic acid (CID 118202175) is (4-bromophenyl)-ethoxyphosphinic acid.
What is the SMILES notation for (4-bromophenyl)-ethoxyphosphinic acid?
The canonical SMILES for (4-bromophenyl)-ethoxyphosphinic acid is CCOP(=O)(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-ethoxyphosphinic acid?
The InChIKey is DTZCKHOTJOOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrO3P/c1-2-12-13(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,11).
What are the key properties of (4-bromophenyl)-ethoxyphosphinic acid?
(4-bromophenyl)-ethoxyphosphinic acid has a molecular weight of 265.04 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-ethoxyphosphinic acid is sourced from PubChem (CID 118202175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).