1.0 2010-04-08 22:15:40 UTC 2019-11-26 03:20:20 UTC FDB021400 (E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol Production by asparagus (Asparagus officinalis) cell cultures. (E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol is found in green vegetables. C17H14O3 266.2913 266.094294314 4-{[(2Z)-5-(4-hydroxyphenyl)pent-2-en-4-yn-1-yl]oxy}phenol 4-{[(2Z)-5-(4-hydroxyphenyl)pent-2-en-4-yn-1-yl]oxy}phenol 166762-98-7 OC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1 InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1- GXRXAVMCQJHRCM-IWQZZHSRSA-N belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring. 4-alkoxyphenols Organic compounds Benzenoids Phenols 4-alkoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 4-alkoxyphenol Alkyl aryl ether Aromatic homomonocyclic compound Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 4.06 ALOGPS logs -4.38 ALOGPS solubility 1.11e-02 g/l ALOGPS melting_point Mp 182° dec. logp 3.93 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 4-{[(2Z)-5-(4-hydroxyphenyl)pent-2-en-4-yn-1-yl]oxy}phenol ChemAxon average_mass 266.2913 ChemAxon mono_mass 266.094294314 ChemAxon smiles OC1=CC=C(OC\C=C/C#CC2=CC=C(O)C=C2)C=C1 ChemAxon formula C17H14O3 ChemAxon inchi InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1- ChemAxon inchikey GXRXAVMCQJHRCM-IWQZZHSRSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 77.05 ChemAxon polarizability 28.36 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20608 Specdb::CMs 47324 Specdb::CMs 167625 Specdb::MsMs 311914 Specdb::MsMs 311915 Specdb::MsMs 311916 Specdb::MsMs 357025 Specdb::MsMs 357026 Specdb::MsMs 357027 Specdb::MsMs 2433796 Specdb::MsMs 2433797 Specdb::MsMs 2433798 Specdb::MsMs 2505260 Specdb::MsMs 2505261 Specdb::MsMs 2505262 HMDB41447 #<Reference:0x000055ce31e419e8> Green vegetables Unknown generic