1.0 2010-04-08 22:09:55 UTC 2019-11-26 03:05:50 UTC FDB011963 2,4,6-Trimethoxybenzophenone Isolated from Cascara sagrada. 2,4,6-Trimethoxybenzophenone is found in garden tomato. 2,4,6-Trimethoxybenzophenone Methanone, phenyl(2,4,6-trimethoxyphenyl)- Methylhydrocotoin Phenyl(2,4,6-trimethoxyphenyl)-methanone Phenyl(2,4,6-trimethoxyphenyl)methanone C16H16O4 272.2958 272.104859 phenyl(2,4,6-trimethoxyphenyl)methanone phenyl(2,4,6-trimethoxyphenyl)methanone 3770-80-7 COC1=CC(OC)=C(C(=O)C2=CC=CC=C2)C(OC)=C1 InChI=1S/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3 KFZFLPQFBYUOHV-UHFFFAOYSA-N belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. Benzophenones Organic compounds Benzenoids Benzene and substituted derivatives Benzophenones Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Aryl-phenylketones Benzoyl derivatives Diphenylmethanes Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl ketone Aryl-phenylketone Benzophenone Benzoyl Diphenylmethane Ether Hydrocarbon derivative Ketone Methoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 3.05 ALOGPS logs -4.34 ALOGPS solubility 1.24e-02 g/l ALOGPS melting_point Mp 113-115° logp 2.96 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac phenyl(2,4,6-trimethoxyphenyl)methanone ChemAxon average_mass 272.2958 ChemAxon mono_mass 272.104859 ChemAxon smiles COC1=CC(OC)=C(C(=O)C2=CC=CC=C2)C(OC)=C1 ChemAxon formula C16H16O4 ChemAxon inchi InChI=1S/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3 ChemAxon inchikey KFZFLPQFBYUOHV-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 76.02 ChemAxon polarizability 28.45 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14328 Specdb::CMs 156082 Specdb::MsMs 94326 Specdb::MsMs 94327 Specdb::MsMs 94328 Specdb::MsMs 158346 Specdb::MsMs 158347 Specdb::MsMs 158348 Specdb::MsMs 2385107 Specdb::MsMs 2385108 Specdb::MsMs 2385109 Specdb::MsMs 2577504 Specdb::MsMs 2577505 Specdb::MsMs 2577506 HMDB33800 #<Reference:0x000055ce331a2618> Garden tomato Type 1 specific Solanum lycopersicum 4081