1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:29 UTC FDB011028 8-Hydroxy-1-methoxy-3-methylanthraquinone Constituent of Rumex acetosa (sorrel). 8-Hydroxy-1-methoxy-3-methylanthraquinone is found in green vegetables and garden rhubarb. 8-Hydroxy-1-methoxy-3-methylanthraquinone C16H12O4 268.2641 268.073558872 8-hydroxy-1-methoxy-3-methyl-9,10-dihydroanthracene-9,10-dione 8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione 67116-22-7 COC1=CC(C)=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3 KVRUANCWPQJDMF-UHFFFAOYSA-N belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. Anthraquinones Organic compounds Benzenoids Anthracenes Anthraquinones Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl ketones Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 9,10-anthraquinone Alkyl aryl ether Anisole Anthraquinone Aromatic homopolycyclic compound Aryl ketone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid logp 3.33 ALOGPS logs -3.83 ALOGPS solubility 3.95e-02 g/l ALOGPS melting_point Mp 199-200° logp 3.62 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 8-hydroxy-1-methoxy-3-methyl-9,10-dihydroanthracene-9,10-dione ChemAxon average_mass 268.2641 ChemAxon mono_mass 268.073558872 ChemAxon smiles COC1=CC(C)=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O ChemAxon formula C16H12O4 ChemAxon inchi InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3 ChemAxon inchikey KVRUANCWPQJDMF-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 74.64 ChemAxon polarizability 27.5 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24565 Specdb::CMs 43070 Specdb::CMs 154064 Specdb::MsMs 98430 Specdb::MsMs 98431 Specdb::MsMs 98432 Specdb::MsMs 163350 Specdb::MsMs 163351 Specdb::MsMs 163352 Specdb::MsMs 2358960 Specdb::MsMs 2358961 Specdb::MsMs 2358962 Specdb::MsMs 2603591 Specdb::MsMs 2603592 Specdb::MsMs 2603593 HMDB33036 #<Reference:0x000055ce300f5ce0> Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Green vegetables Unknown generic