1.0 2020-03-10 17:02:46 UTC 2020-04-22 18:56:40 UTC BMDB0096196 BMDB96196 Hydroxymethoxyphenylcarboxylic acid-O-sulphate Hydroxymethoxyphenylcarboxylate-O-sulfate Hydroxymethoxyphenylcarboxylate-O-sulphate Hydroxymethoxyphenylcarboxylic acid-O-sulfuric acid Hydroxymethoxyphenylcarboxylic acid-O-sulphuric acid [Hydroxy(2-hydroxy-4-methoxyphenyl)methoxy]sulfonate [Hydroxy(2-hydroxy-4-methoxyphenyl)methoxy]sulphonate [Hydroxy(2-hydroxy-4-methoxyphenyl)methoxy]sulphonic acid C8H10O7S 250.226 250.014723364 [hydroxy(2-hydroxy-4-methoxyphenyl)methoxy]sulfonic acid hydroxy(2-hydroxy-4-methoxyphenyl)methoxysulfonic acid COC1=CC(O)=C(C=C1)C(O)OS(O)(=O)=O InChI=1S/C8H10O7S/c1-14-5-2-3-6(7(9)4-5)8(10)15-16(11,12)13/h2-4,8-10H,1H3,(H,11,12,13) DCXMBZPFKOPATQ-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Organic compounds Benzenoids Phenols Methoxyphenols Methoxyphenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkyl sulfates Anisoles Aromatic alcohols Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Sulfuric acid monoesters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Alkyl sulfate Anisole Aromatic alcohol Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Phenol ether Phenoxy compound Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aromatic homomonocyclic compounds logp -0.84 ALOGPS logs -1.76 ALOGPS logp 0.44 ChemAxon pka_strongest_acidic -2.2 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac [hydroxy(2-hydroxy-4-methoxyphenyl)methoxy]sulfonic acid ChemAxon average_mass 250.226 ChemAxon mono_mass 250.014723364 ChemAxon smiles COC1=CC(O)=C(C=C1)C(O)OS(O)(=O)=O ChemAxon formula C8H10O7S ChemAxon inchi InChI=1S/C8H10O7S/c1-14-5-2-3-6(7(9)4-5)8(10)15-16(11,12)13/h2-4,8-10H,1H3,(H,11,12,13) ChemAxon inchikey DCXMBZPFKOPATQ-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 52.34 ChemAxon polarizability 22.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 35458 Specdb::CMs 47991 Specdb::CMs 172285 Specdb::MsMs 903037 Specdb::MsMs 903038 Specdb::MsMs 903039 Specdb::MsMs 948430 Specdb::MsMs 948431 Specdb::MsMs 948432 Specdb::MsMs 3224182 Specdb::MsMs 3224183 Specdb::MsMs 3224184 Specdb::MsMs 3224185 Specdb::MsMs 3224186 Specdb::MsMs 3224187 Specdb::NmrOneD 55342 Specdb::NmrOneD 55343 Specdb::NmrOneD 55344 Specdb::NmrOneD 55345 Specdb::NmrOneD 55346 Specdb::NmrOneD 55347 Specdb::NmrOneD 55348 Specdb::NmrOneD 55349 Specdb::NmrOneD 55350 Specdb::NmrOneD 55351 Specdb::NmrOneD 55352 Specdb::NmrOneD 55353 Specdb::NmrOneD 55354 Specdb::NmrOneD 55355 Specdb::NmrOneD 55356 Specdb::NmrOneD 55357 Specdb::NmrOneD 55358 Specdb::NmrOneD 55359 Specdb::NmrOneD 55360 Specdb::NmrOneD 55361 89623 124202111