Thymolphthalein
Properties
- Molecular formula
- C28H30O4
- Molar mass
- 430.54 g/mol
- Exact mass
- 430.2144 Da
- Melting point
- 253 °C
- logP
- 6.42Crippen estimate
- Polar surface area
- 66.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
Identifiers
CAS number
125-20-2SMILES
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccccc21InChIKey
LDKDGDIWEUUXSH-UHFFFAOYSA-NInChI
InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-
- Phenolphthalein, 5′,5′′-diisopropyl-2′,2′′-dimethyl-
- 3,3-Bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-1(3H)-isobenzofuranone
- 3,3-Bis(4-hydroxy-3-isopropyl-6-methyl)phthalide
- 2′,2′′-Diisopropyl-5′,5′′-dimethylphenolphthalein
- NSC 2186
- 2-[(4-Hydroxy-5-isopropyl-2-methylphenyl)(5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid
- 3,3-Bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
- 3,3-Bis-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3H-isobenzofuran-1-one
Work with Thymolphthalein
Similar compounds
P-Xylenolphthalein50984-88-874 % similar
Sodium thymolphthalein monophosphate28749-63-571 % similar
O-Cresolphthalein596-27-060 % similar
Thymol blue76-61-958 % similar
Naphtholphthalein596-01-053 % similar
Dichlorofluorescein76-54-052 % similar
Thymol blue sodium salt62625-21-249 % similar
Solvent red 72596-03-247 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds