Compound: phloroglucinol
SMILES: Oc1cc(O)cc(c1)O
InChIKey: QCDYQQDYXPDABM-UHFFFAOYSA-N
Synonyms: phloroglucinol, 108-73-6, Benzene-1,3,5-triol, 1,3,5-benzenetriol, 1,3,5-trihydroxybenzene, Phloroglucin, Phloroglucine, Spasfon-Lyoc, Dilospan S, sym-Trihydroxybenzene, s-Trihydroxybenzene, Benzene, trihydroxy, Floroglucin, Floroglucinol, DHD7FFG6YS, Benezene-1,3,5-triol, NSC-1572, DTXSID9048354, CHEBI:16204, RefChem:6129, DTXCID0028329, 203-611-2, Benzene-s-triol, Phloroglucinol anhydrous, 3,5-Dihydroxyphenol, 5-Hydroxyresorcinol, 5-Oxyresorcinol, 5-Oxyresorcinolphloroglucin, 1,3,5-THB, MFCD00002286, 1,3,5-Trihydroxycyclohexatriene, 1,3,5-Triol, Benzene, 1,3,5-trihydroxy-, Phloroglucinol, anhydrous, 5-Benzenetriol, NSC 1572, Phloroglucinol (JAN), CHEMBL473159, PHLOROGLUCINOL [JAN], Floroglucin [Czech], Floroglucinol [Czech], CCRIS 4147, UNII-DHD7FFG6YS, NCGC00166270-01, 1,2,5-trihydroxybenzene, EINECS 203-611-2, BRN 1341907, Phloroglucinolum, AI3-08848, 1,5-Benzenetriol, 13X, Dilospan S (TN), Phloroglucinol [BAN], 1,5-Trihydroxybenzene, 1,5-Triol, Benzene,3,5-trihydroxy-, Phloroglucinol (anhydrous), WLN: QR CQ EQ, 1,3,5-trihydroxylbenzene, 1,3,5-trihydroxy-benzene, PHLOROGLUCINOL [MI], Phloroglucinol Impurity 33, 1,3, 5-Trihydroxybenzene, SCHEMBL26311, SCHEMBL82570, 1,5-Trihydroxycyclohexatriene, 4-06-00-07361 (Beilstein Handbook Reference), 6,17-alpha Epoxypregnenolone, Phloroglucinol, p.a., 99%, PHLOROGLUCINOL [MART.], Phloroglucinol (anhydrous) CRS, SCHEMBL3711657, PHLOROGLUCINOL [WHO-DD], 1,3,5-Benzenetriol, anhydrous, SCHEMBL30710583, NSC1572, EDC49724, BBL018701, BDBM50249069, CS0115, EBC-48043, MSK168374, PHLOROGLUCINOL [EP MONOGRAPH], STL146346, phloroglucinol (1,3,5-benzenetriol), Phloroglucinol, >=99.0% (HPLC), AKOS000119851, DB12944, FP12341, FS-4574, 1,3,5-Benzenetriol (ACD/Name 4.0), NCGC00166270-02, AC-10081, NS00013979, P0249, P1376, ST50214381, EN300-19648, Phloroglucinol 100 microg/mL in Acetonitrile, C02183, D00152, F13526, SBI-0653926.0001, USP Solution Phloroglucinol TS Conforms to USP, Q899008, BRD-K00405906-001-01-9, Phloroglucinol, plant cell culture tested, BioReagent, F0001-0177, Z104474594, Phloroglucinol, Used to detect the presence of wood fiber., 1,3,5-Benzenetriol; 1,3,5-THB; 1,3,5-Trihydroxybenzene, InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9, Phloroglucinol (anhydrous), European Pharmacopoeia (EP) Reference Standard
Theoretical properties:
molecular_formula: C6H6O3
molecular_weight: 126.11 g/mol
exact_mass: 126.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 60.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 218.5 °C
solubility: 10.6 mg/mL at 20 °C
vapor_pressure: 0.00016 [mmHg]
Descriptions:
pubchem: Phloroglucinol is a benzenetriol with hydroxy groups at position 1, 3 and 5. It has a role as an algal metabolite. It is a phenolic donor and a benzenetriol.
chebi: A benzenetriol with hydroxy groups at position 1, 3 and 5.
chembl: PHLOROGLUCINOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Phloroglucinol is an organic compound with the formula C6H3(OH)3. It is a colorless solid. It is used in the synthesis of pharmaceuticals and explosives. Phloroglucinol is one of three isomeric benzenetriols. The other two isomers are hydroxyquinol (1,2,4-benzenetriol) and pyrogallol (1,2,3-benzenetriol).  Phloroglucinol, and its benzenetriol isomers, are still defined as "phenols" according to the IUPAC official nomenclature rules of chemical compounds. Many such monophenolics are often termed polyphenols. The enzyme is biosynthesized by phloroglucinol synthase.