2-bromoethoxy(2-phenylethyl)phosphinic acid

C10H14BrO3P — CID 174777902

IUPAC2-bromoethoxy(2-phenylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccc1)OCCBr
InChIInChI=1S/C10H14BrO3P/c11-7-8-14-15(12,13)9-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)
InChIKeyCWKPPYLTWUNKBP-UHFFFAOYSA-N
MW293.10 g/mol
LogP2.83
Rot. Bonds6

About 2-bromoethoxy(2-phenylethyl)phosphinic acid

2-bromoethoxy(2-phenylethyl)phosphinic acid (PubChem CID 174777902) has the molecular formula C10H14BrO3P and a molecular weight of 293.10 g/mol. Its IUPAC name is 2-bromoethoxy(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name2-bromoethoxy(2-phenylethyl)phosphinic acid
PubChem CID174777902
Molecular FormulaC10H14BrO3P
Molecular Weight293.10 g/mol
Exact Mass291.99
IUPAC Name2-bromoethoxy(2-phenylethyl)phosphinic acid
SMILESO=P(O)(CCc1ccccc1)OCCBr
InChIInChI=1S/C10H14BrO3P/c11-7-8-14-15(12,13)9-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)
InChIKeyCWKPPYLTWUNKBP-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
butoxy(2-phenylethyl)phosphinic acid
CID 150976148
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
2-[2-[bis(2-phenylethyl)phosphoryloxy]ethyl-(2-phenylethyl)phosphoryl]ethylbenzene
CID 100957246
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
2-bromoethyl 3-phenylpropanoate
CID 101450584
12-phenyldodecyl dihydrogen phosphate
CID 70388670
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
2-diethoxyphosphorylethylbenzene
CID 3448525
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
2-dichlorophosphorylethylbenzene
CID 15169214

Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy(2-phenylethyl)phosphinic acid?
The IUPAC name of 2-bromoethoxy(2-phenylethyl)phosphinic acid (CID 174777902) is 2-bromoethoxy(2-phenylethyl)phosphinic acid.
What is the SMILES notation for 2-bromoethoxy(2-phenylethyl)phosphinic acid?
The canonical SMILES for 2-bromoethoxy(2-phenylethyl)phosphinic acid is O=P(O)(CCc1ccccc1)OCCBr.
What is the InChIKey of 2-bromoethoxy(2-phenylethyl)phosphinic acid?
The InChIKey is CWKPPYLTWUNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrO3P/c11-7-8-14-15(12,13)9-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13).
What are the key properties of 2-bromoethoxy(2-phenylethyl)phosphinic acid?
2-bromoethoxy(2-phenylethyl)phosphinic acid has a molecular weight of 293.10 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 174777902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).