1.0 2010-04-08 22:10:08 UTC 2019-11-26 03:06:38 UTC FDB012369 (±)-threo-Anethole glycol Constituent of Illicium verum (Chinese star anise). (±)-threo-Anethole glycol is found in fruits. (±)-threo-Anethole glycol (1RS,2RS)-Anethole glycol 1-(4-Methoxyphenyl)-1,2-propanediol 1,2-Propanediol, 1-(4-methoxyphenyl)- Anethole glycol C10H14O3 182.2164 182.094294314 (1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol (1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol 94497-49-1 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1 MRDZSBVJWOXBRW-OIBJUYFYSA-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 1,2-diols Alkyl aryl ethers Anisoles Aromatic alcohols Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Secondary alcohols 1,2-diol Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenylpropane Secondary alcohol logp 1.17 ALOGPS logs -0.87 ALOGPS solubility 2.43e+01 g/l ALOGPS melting_point Mp 67.5-68° logp 0.83 ChemAxon pka_strongest_acidic 13.46 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1S,2S)-1-(4-methoxyphenyl)propane-1,2-diol ChemAxon average_mass 182.2164 ChemAxon mono_mass 182.094294314 ChemAxon smiles COC1=CC=C(C=C1)[C@H](O)[C@H](C)O ChemAxon formula C10H14O3 ChemAxon inchi InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1 ChemAxon inchikey MRDZSBVJWOXBRW-OIBJUYFYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 49.72 ChemAxon polarizability 19.64 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21994 Specdb::CMs 42880 Specdb::CMs 137375 Specdb::CMs 145109 Specdb::MsIr 5616 Specdb::MsIr 5617 Specdb::MsIr 5618 Specdb::MsMs 69072 Specdb::MsMs 69073 Specdb::MsMs 69074 Specdb::MsMs 127263 Specdb::MsMs 127264 Specdb::MsMs 127265 Specdb::MsMs 2271876 Specdb::MsMs 2271877 Specdb::MsMs 2271878 Specdb::MsMs 3067652 Specdb::MsMs 3067653 Specdb::MsMs 3067654 Specdb::NmrOneD 114198 Specdb::NmrOneD 114199 Specdb::NmrOneD 114200 Specdb::NmrOneD 114201 Specdb::NmrOneD 114202 Specdb::NmrOneD 114203 Specdb::NmrOneD 114204 Specdb::NmrOneD 114205 Specdb::NmrOneD 114206 Specdb::NmrOneD 114207 Specdb::NmrOneD 114208 Specdb::NmrOneD 114209 Specdb::NmrOneD 114210 Specdb::NmrOneD 114211 Specdb::NmrOneD 114212 Specdb::NmrOneD 114213 Specdb::NmrOneD 114214 Specdb::NmrOneD 114215 Specdb::NmrOneD 114216 Specdb::NmrOneD 114217 HMDB32607 #<Reference:0x000055ce31e61ba8> Fruits Unknown generic