(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE

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

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 2.24 ALOGPS
logS -2.5 ALOGPS
Water Solubility 8.22e-01 g/l ALOGPS
logP 2.82 ChemAxon
IUPAC Name (R)-((2S)-1-phenoxybutan-2-yl chloro(methyl)phosphinate) ChemAxon
Traditional IUPAC Name (R)-((2S)-1-phenoxybutan-2-yl chloro(methyl)phosphinate) ChemAxon
Molecular Weight 262.67 ChemAxon
Monoisotopic Weight 262.052558597 ChemAxon
SMILES [H][C@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O ChemAxon
Molecular Formula C11H16ClO3P ChemAxon
InChI InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 ChemAxon
InChIKey InChIKey=YEIXDWIEYXZUBR-MGPLVRAMSA-N ChemAxon
Polar Surface Area (PSA) 35.53 ChemAxon
Refractivity 64.73 ChemAxon
Polarizability 25.59 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) -4.9 ChemAxon
Physiological Charge 0 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

  • Lipase : in Burkholderia cepacia