1.0 2020-03-10 17:01:44 UTC 2020-04-22 18:56:16 UTC BMDB0096133 BMDB96133 6-Demethylgriseofulvin 6-Desmethylgriseofulvin 6-Demethylgriseofulvin C16H15ClO6 338.74 338.055715919 7-chloro-6-hydroxy-2',4-dimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione 7-chloro-6-hydroxy-2',4-dimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione COC1=C2C(=O)C3(OC2=C(Cl)C(O)=C1)C(C)CC(=O)C=C3OC InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3 SYNGDIBHUPXIQA-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Organic compounds Organoheterocyclic compounds Benzofurans Benzofurans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aryl alkyl ketones Aryl chlorides Coumarans Cyclohexenones Hydrocarbon derivatives Organic oxides Organochlorides Oxacyclic compounds Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl chloride Aryl halide Aryl ketone Benzenoid Benzofuran Carbonyl group Coumaran Cyclic ketone Cyclohexenone Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Oxacycle Vinylogous ester Aromatic heteropolycyclic compounds logp 2.61 ALOGPS logs -3.55 ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 6.3 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 7-chloro-6-hydroxy-2',4-dimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione ChemAxon average_mass 338.74 ChemAxon mono_mass 338.055715919 ChemAxon smiles COC1=C2C(=O)C3(OC2=C(Cl)C(O)=C1)C(C)CC(=O)C=C3OC ChemAxon formula C16H15ClO6 ChemAxon inchi InChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3 ChemAxon inchikey SYNGDIBHUPXIQA-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 83.36 ChemAxon polarizability 32.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 11245 Specdb::CMs 47571 Specdb::CMs 118823 Specdb::CMs 171917 Specdb::CMs 828878 Specdb::CMs 828879 Specdb::CMs 828880 Specdb::MsMs 8591 Specdb::MsMs 8592 Specdb::MsMs 8593 Specdb::MsMs 15263 Specdb::MsMs 15264 Specdb::MsMs 15265 Specdb::MsMs 2835831 Specdb::MsMs 2835832 Specdb::MsMs 2835833 Specdb::MsMs 2873261 Specdb::MsMs 2873262 Specdb::MsMs 2873263 141692 161302