P-Xylenolphthalein

C₂₄H₂₂O₄CAS 50984-88-8374.44 g/mol

Open in Covalent MOL file

Ester Lactone Phenol

Properties

Molecular formula: C₂₄H₂₂O₄
Molar mass: 374.44 g/mol
Exact mass: 374.1518 Da
logP: 4.79Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

50984-88-8

SMILES

Cc1cc(C2(c3cc(C)c(O)cc3C)OC(=O)c3ccccc32)c(C)cc1O

InChIKey

PXCIPOXPHMTCIL-UHFFFAOYSA-N

InChI

InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-
3,3-Bis(4-hydroxy-2,5-dimethylphenyl)-1(3H)-isobenzofuranone
3,3-Bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1-one

Work with P-Xylenolphthalein

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thymolphthalein125-20-274 % similar O-Cresolphthalein596-27-071 % similar Naphtholphthalein596-01-060 % similar Dichlorofluorescein76-54-055 % similar Sodium thymolphthalein monophosphate28749-63-554 % similar Xylenol blue125-31-553 % similar Fluorescein2321-07-553 % similar Solvent red 72596-03-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2′-[[1,1′-Binaphthalene]-2,2′-diylbis(oxy)]bis[ethanol]55441-95-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook