Compound: THYMOLPHTHALEIN
SMILES: O=C1OC(c2c(cc(O)c(c2)C(C)C)C)(c3c(cc(O)c(c3)C(C)C)C)c4c1cccc4
InChIKey: LDKDGDIWEUUXSH-UHFFFAOYSA-N
Synonyms: THYMOLPHTHALEIN, 125-20-2, Thymophthalein, 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, YG5I28WSQP, NSC-2186, Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-, DTXSID2051633, 3,3-Bis(4-hydroxy-5-isopropyl-o-tolyl)phthalide, 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-, RefChem:189869, DTXCID3030185, 204-729-7, MLS000736489, NSC2186, MFCD00005909, 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one, TCMDC-123951, 3,3-bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1(3H)-one, 5',5''-Diisopropyl-2',2''-dimethylphenolphthalein, SMR000528039, 3,3-Bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-1(3H)-isobenzofuranone, 3,3-bis(4-hydroxy-5-isopropyl-2-methyl-phenyl)isobenzofuran-1-one, 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzofuran-1(3H)-one, 3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]-3-hydroisobenzofuran-1-one, Thymolphthalein solution, EINECS 204-729-7, UNII-YG5I28WSQP, thymolphthaleine, 3,3-BIS(4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL)-1(3H)-ISOBENZOFURANONE, NSC 2186, Opera_ID_1318, Thymolphthalein ACS grade, NCIMech_000710, NCIStruc1_001086, NCIStruc2_001003, THYMOLPHTHALEIN [MI], SCHEMBL62716, cid_31316, CHEMBL587849, SCHEMBL29559864, SCHEMBL29942223, BDBM58093, NCI2186, pH Indicator (9.3-10.5), CHEBI:192239, Thymolphthalein, JIS special grade, HY-D0265, Thymolphthalein, p.a., ACS reagent, BBL002035, CCG-35804, CCG-37314, MSK166617, NCGC00013018, SBB008946, STK027809, 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one, AKOS000492934, FT01463, MSK166617-100M, 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-1,3-dihydro-2-benzofuran-1-one, MSK166617-1000M, NCGC00013018-02, NCGC00096145-01, AS-20020, NCI60_001823, PD011683, ST009495, DB-041790, CS-0010168, NS00015117, E75957, Thymolphthalein Solution in Methanol, 100ug/mL, Thymolphthalein Solution in Methanol, 1000ug/mL, Thymolphthalein, ACS reagent, Dye content 95 %, F847804, Q421048, Phenolphthalein,5''-diisopropyl-2',2''-dimethyl-, Thymolphthalein, ACS reagent, indicator (pH 8.8-10.5), 2',2''-DIISOPROPYL-5',5''-DIMETHYLPHENOLPHTHALEIN, 3,3-BIS(4-HYDROXY-3-ISOPROPYL-6-METHYL)PHTHALIDE, 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone, 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)isobenzofuran-1-one, 1(3H)-Isobenzofuranone,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-, 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one, 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzouran-1-one, 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-2-benzofuran-1(3H)-one #, Thymolphthalein (0.1% in ca. 95% Ethanol) [for pH determination and titration]
Theoretical properties:
molecular_formula: C28H30O4
molecular_weight: 430.5 g/mol
exact_mass: 430.21440943 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 4
heavy_atom_count: 32
topological_polar_surface_area: 66.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Thymophthalein is a terpene lactone.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Thymolphthalein is a phthalein dye used as an acid–base (pH) indicator. Its transition range is around pH 9.3–10.5. Below this pH, it is colorless; above, it is blue. The molar extinction coefficient for the blue thymolphthalein dianion is 38,000 M−1 cm−1 at 595 nm.

Thymolphthalein is also known to have use as a laxative and for disappearing ink.