1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:06 UTC FDB019103 2-Ethoxy-1-methoxy-4-(1-propenyl)benzene Isolated from the roots of Trifolium pratense (red clover). 2-Ethoxy-1-methoxy-4-(1-propenyl)benzene is found in tea and herbs and spices. 2-Ethoxy-1-methoxy-4-(1-propenyl)benzene, 9CI Isochavibetol ethyl ether C12H16O2 192.2542 192.115029756 2-ethoxy-1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene 2-ethoxy-1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene 92-42-2 CCOC1=C(OC)C=CC(\C=C/C)=C1 InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,6-9H,5H2,1-3H3/b6-4- MEZOHEWMHLQBII-XQRVVYSFSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound Styrene logp 3.94 ALOGPS logs -3.42 ALOGPS solubility 7.29e-02 g/l ALOGPS logp 3.14 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-ethoxy-1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CCOC1=C(OC)C=CC(\C=C/C)=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-4-6-10-7-8-11(13-3)12(9-10)14-5-2/h4,6-9H,5H2,1-3H3/b6-4- ChemAxon inchikey MEZOHEWMHLQBII-XQRVVYSFSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 59.09 ChemAxon polarizability 22.17 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15169 Specdb::CMs 135127 Specdb::CMs 142861 Specdb::MsIr 8181 Specdb::MsIr 8182 Specdb::MsMs 104712 Specdb::MsMs 104713 Specdb::MsMs 104714 Specdb::MsMs 171048 Specdb::MsMs 171049 Specdb::MsMs 171050 Specdb::MsMs 2839680 Specdb::MsMs 2839681 Specdb::MsMs 2839682 Specdb::MsMs 2869095 Specdb::MsMs 2869096 Specdb::MsMs 2869097 HMDB39496 #<Reference:0x000055ce315d5c28> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442