Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Phenol ethers

Organic compounds


Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 1.29 ALOGPS
logS -2.1 ALOGPS
Water Solubility 1.67e+00 g/l ALOGPS
logP 1.15 ChemAxon
IUPAC Name [2-(4-methylphenoxy)ethyl]phosphinate ChemAxon
Traditional IUPAC Name 2-(4-methylphenoxy)ethylphosphinate ChemAxon
Molecular Weight 199.1635 ChemAxon
Monoisotopic Weight 199.052405762 ChemAxon
SMILES [H][P@]([O-])(=O)CCOC1=CC=C(C)C=C1 ChemAxon
Molecular Formula C9H12O3P ChemAxon
InChI InChI=1S/C9H13O3P/c1-8-2-4-9(5-3-8)12-6-7-13(10)11/h2-5,13H,6-7H2,1H3,(H,10,11)/p-1 ChemAxon
Polar Surface Area (PSA) 49.36 ChemAxon
Refractivity 49.93 ChemAxon
Polarizability 19.62 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest acidic) 2.2 ChemAxon
pKa (strongest basic) -4.8 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Thermolysin : in Bacillus thermoproteolyticus