2-bromoethyl(2-phenylethyl)phosphinic acid

C10H14BrO2P — CID 11087049

IUPAC2-bromoethyl(2-phenylethyl)phosphinic acid
SMILESO=P(O)(CCBr)CCc1ccccc1
InChIInChI=1S/C10H14BrO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)
InChIKeyOAOXIBQCPCNGMK-UHFFFAOYSA-N
MW277.10 g/mol
LogP2.89
Rot. Bonds5

About 2-bromoethyl(2-phenylethyl)phosphinic acid

2-bromoethyl(2-phenylethyl)phosphinic acid (PubChem CID 11087049) has the molecular formula C10H14BrO2P and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-bromoethyl(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name2-bromoethyl(2-phenylethyl)phosphinic acid
PubChem CID11087049
Molecular FormulaC10H14BrO2P
Molecular Weight277.10 g/mol
Exact Mass275.99
IUPAC Name2-bromoethyl(2-phenylethyl)phosphinic acid
SMILESO=P(O)(CCBr)CCc1ccccc1
InChIInChI=1S/C10H14BrO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13)
InChIKeyOAOXIBQCPCNGMK-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromoethyl(2-phenylethyl)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl(2-phenylethyl)phosphinic acid?
The IUPAC name of 2-bromoethyl(2-phenylethyl)phosphinic acid (CID 11087049) is 2-bromoethyl(2-phenylethyl)phosphinic acid.
What is the SMILES notation for 2-bromoethyl(2-phenylethyl)phosphinic acid?
The canonical SMILES for 2-bromoethyl(2-phenylethyl)phosphinic acid is O=P(O)(CCBr)CCc1ccccc1.
What is the InChIKey of 2-bromoethyl(2-phenylethyl)phosphinic acid?
The InChIKey is OAOXIBQCPCNGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrO2P/c11-7-9-14(12,13)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,13).
What are the key properties of 2-bromoethyl(2-phenylethyl)phosphinic acid?
2-bromoethyl(2-phenylethyl)phosphinic acid has a molecular weight of 277.10 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 11087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).