THYMOLPHTHALEIN

3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one

CAS: 125-20-2

Molecular Formula	`C28H30O4`
Molecular Weight	430.5 g/mol
LogP	6.8
Topological Polar Surface Area	66.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	430.21442
Heavy Atoms	32
Complexity	636.0

Chemical Identifiers

CAS Number	125-20-2
SMILES	`CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O`
InChIKey	`LDKDGDIWEUUXSH-UHFFFAOYSA-N`

📖 Product Overview

THYMOLPHTHALEIN (CAS: 125-20-2) is a chemical compound with molecular formula C28H30O4 and molecular weight 430.5 g/mol. Its IUPAC systematic name is 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one. LogP 6.8 Topological Polar Surface Area 66.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 430.21442 Heavy Atoms 32 Complexity 636.0 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O.

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