1-Methyloxy-4-Sulfone-Benzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Anisoles

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP -0.16 ALOGPS
logS -2.2 ALOGPS
Water Solubility 9.59e-01 g/l ALOGPS
logP 0.94 ChemAxon
IUPAC Name 1-methoxy-4-sulfonylbenzene ChemAxon
Traditional IUPAC Name 1-methyloxy-4-sulfone-benzene ChemAxon
Molecular Weight 172.202 ChemAxon
Monoisotopic Weight 172.019414812 ChemAxon
SMILES COC1=CC=C(C=C1)S(=O)=O ChemAxon
Molecular Formula C7H8O3S ChemAxon
InChI InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5,11H,1H3 ChemAxon
InChIKey InChIKey=XUNSZADDFLWFOL-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 43.37 ChemAxon
Refractivity 41.38 ChemAxon
Polarizability 16.44 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 5.26 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 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Collagenase 3 : in Human
  • Stromelysin-1 : in Human