1.0 2026-09-22 00:26:31 UTC 2026-09-22 00:26:31 UTC FDB117380 3-n-Propylphenol 3-propylphenol C9H12O 136.194 136.088815006 3-propylphenol 3-propylphenol CCCC1=CC(O)=CC=C1 InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3 MPWGZBWDLMDIHO-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Phenylpropane logp 3.01 ALOGPS logs -1.84 ALOGPS solubility 1.99e+00 g/l ALOGPS logp 3.07 ChemAxon pka_strongest_acidic 10.11 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 3-propylphenol ChemAxon average_mass 136.194 ChemAxon mono_mass 136.088815006 ChemAxon smiles CCCC1=CC(O)=CC=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7,10H,2,4H2,1H3 ChemAxon inchikey MPWGZBWDLMDIHO-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.28 ChemAxon polarizability 15.91 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 103722 Specdb::MsMs 1451780 Specdb::MsMs 1451781 Specdb::MsMs 1451782 Specdb::MsMs 1462715 Specdb::MsMs 1462716 Specdb::MsMs 1462717