1.0 2010-04-08 22:15:00 UTC 2025-11-19 02:31:09 UTC FDB020391 (±)-threo-1-(4-Hydroxyphenyl)-1,2,3-propanetriol Constituent of Pinus sylvestris (Scotch pine) 1-(4-Hydroxyphenyl)-1,2,3-propanetriol, 9CI; (±)-threo-form C9H12O4 184.1892 184.073558872 1-(4-hydroxyphenyl)propane-1,2,3-triol 1-(4-hydroxyphenyl)propane-1,2,3-triol 25743-67-3 OCC(O)C(O)C1=CC=C(O)C=C1 InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2 DGMSJCVOBYTYTE-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic homomonocyclic compounds Aromatic alcohols Benzene and substituted derivatives Hydrocarbon derivatives Polyols Primary alcohols Secondary alcohols Sugar alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Sugar alcohol logp -0.90 ALOGPS logs -0.74 ALOGPS solubility 3.34e+01 g/l ALOGPS logp -0.36 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(4-hydroxyphenyl)propane-1,2,3-triol ChemAxon average_mass 184.1892 ChemAxon mono_mass 184.073558872 ChemAxon smiles OCC(O)C(O)C1=CC=C(O)C=C1 ChemAxon formula C9H12O4 ChemAxon inchi InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2 ChemAxon inchikey DGMSJCVOBYTYTE-UHFFFAOYSA-N ChemAxon polar_surface_area 80.92 ChemAxon refractivity 46.78 ChemAxon polarizability 18.33 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26238 Specdb::CMs 46853 Specdb::CMs 146750 Specdb::MsMs 9077 Specdb::MsMs 9078 Specdb::MsMs 9079 Specdb::MsMs 15749 Specdb::MsMs 15750 Specdb::MsMs 15751 Specdb::MsMs 2391844 Specdb::MsMs 2391845 Specdb::MsMs 2391846 Specdb::MsMs 2570729 Specdb::MsMs 2570730 Specdb::MsMs 2570731 Specdb::NmrOneD 42282 Specdb::NmrOneD 42283 Specdb::NmrOneD 42284 Specdb::NmrOneD 42285 Specdb::NmrOneD 42286 Specdb::NmrOneD 42287 Specdb::NmrOneD 42288 Specdb::NmrOneD 42289 Specdb::NmrOneD 42290 Specdb::NmrOneD 42291 Specdb::NmrOneD 42292 Specdb::NmrOneD 42293 Specdb::NmrOneD 42294 Specdb::NmrOneD 42295 Specdb::NmrOneD 42296 Specdb::NmrOneD 42297 Specdb::NmrOneD 42298 Specdb::NmrOneD 42299 Specdb::NmrOneD 42300 Specdb::NmrOneD 42301 HMDB0040603