1.02010-04-08 22:14:47 UTC2019-11-26 03:18:26 UTCFDB0200782-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediolConstituent of Vitis vinifera cv. Gewurztraminer. 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol is found in alcoholic beverages.C13H20O5256.2949256.131073752-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diolCOC1=CC(CCCO)=CC=C1OC(CO)COInChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3WAPGRPJEBCULTQ-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.AnisolesOrganic compoundsBenzenoidsPhenol ethersAnisolesAromatic homomonocyclic compoundsAlkyl aryl ethersHydrocarbon derivativesMethoxybenzenesPhenoxy compoundsPrimary alcoholsAlcoholAlkyl aryl etherAnisoleAromatic homomonocyclic compoundEtherHydrocarbon derivativeMethoxybenzeneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPhenoxy compoundPrimary alcohollogp1.09logs-2.55solubility7.27e-01 g/llogp0.3pka_strongest_acidic14.27pka_strongest_basic-2.4iupac2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diolaverage_mass256.2949mono_mass256.13107375smilesCOC1=CC(CCCO)=CC=C1OC(CO)COformulaC13H20O5inchiInChI=1S/C13H20O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h4-5,7,11,14-16H,2-3,6,8-9H2,1H3inchikeyWAPGRPJEBCULTQ-UHFFFAOYSA-Npolar_surface_area79.15refractivity67.41polarizability27.39rotatable_bond_count8acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::CMs17448Specdb::CMs46747Specdb::CMs159457Specdb::MsMs10394Specdb::MsMs10395Specdb::MsMs10396Specdb::MsMs17066Specdb::MsMs17067Specdb::MsMs17068Specdb::MsMs2401883Specdb::MsMs2401884Specdb::MsMs2401885Specdb::MsMs2533938Specdb::MsMs2533939Specdb::MsMs2533940HMDB40352#<Reference:0x0000555675a27be8>Alcoholic beveragesUnknowngeneric