1.0 2010-04-08 22:06:13 UTC 2025-11-18 22:56:00 UTC FDB004372 1,2,3-Trimethoxy-5-ethylbenzene 1,2,3-trimethoxy-5-ethylbenzene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-ethylbenzene can be found in tea, which makes 1,2,3-trimethoxy-5-ethylbenzene a potential biomarker for the consumption of this food product. C10H13O3 181.211 181.086469279 1,2,6-trimethoxy-4-methylidenecyclohexa-2,5-dien-1-yl 1,2,6-trimethoxy-4-methylidenecyclohexa-2,5-dien-1-yl CO[C]1C(OC)=CC(=C)C=C1OC InChI=1S/C10H13O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1H2,2-4H3 RZJRTUMXCDSWJK-UHFFFAOYSA-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 Alkyl aryl ether Anisole Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenoxy compound logp 1.60 ALOGPS logs -1.78 ALOGPS solubility 3.02e+00 g/l ALOGPS logp 0.87 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 1,2,6-trimethoxy-4-methylidenecyclohexa-2,5-dien-1-yl ChemAxon average_mass 181.211 ChemAxon mono_mass 181.086469279 ChemAxon smiles CO[C]1C(OC)=CC(=C)C=C1OC ChemAxon formula C10H13O3 ChemAxon inchi InChI=1S/C10H13O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1H2,2-4H3 ChemAxon inchikey RZJRTUMXCDSWJK-UHFFFAOYSA-N ChemAxon polar_surface_area 27.69 ChemAxon refractivity 54.07 ChemAxon polarizability 19.31 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103329 Specdb::MsMs 103330 Specdb::MsMs 103331 Specdb::MsMs 169344 Specdb::MsMs 169345 Specdb::MsMs 169346 Specdb::MsMs 3600320 Specdb::MsMs 3600321 Specdb::MsMs 3600322 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442