N-Butylbenzene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Benzene and substituted derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Calculated Property

kind Value Source
logP 4.34 ALOGPS
logS -4.3 ALOGPS
Water Solubility 6.65e-03 g/l ALOGPS
logP 3.82 ChemAxon
IUPAC Name butylbenzene ChemAxon
Traditional IUPAC Name N-butylbenzene ChemAxon
Molecular Weight 134.2182 ChemAxon
Monoisotopic Weight 134.109550448 ChemAxon
SMILES CCCCC1=CC=CC=C1 ChemAxon
Molecular Formula C10H14 ChemAxon
InChI InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3 ChemAxon
InChIKey InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 44.9 ChemAxon
Polarizability 17 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 ChemAxon
Physiological Charge 0 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

  • Lysozyme : in Enterobacteria phage T4