CAS 2167-51-3 | 4,4'-(1,4-Phenylenebis(propane-2,2-diyl););diphenol | CAS Number 2167-51-3

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2167-51-3 | 4,4'-(1,4-Phenylenebis(propane-2,2-diyl););diphenol

CAS No: 2167-51-3 Catalog No: AG003NRL MDL No:MFCD00191315

Product Description

Catalog Number:

AG003NRL

Chemical Name:

4,4'-(1,4-Phenylenebis(propane-2,2-diyl););diphenol

CAS Number:

2167-51-3

Molecular Formula:

C24H26O2

Molecular Weight:

346.4620

MDL Number:

MFCD00191315

IUPAC Name:

4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol

InChI:

InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3

InChI Key:

GIXXQTYGFOHYPT-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)O)(c1ccc(cc1)C(c1ccc(cc1)O)(C)C)C

Properties

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.193g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.47g/mol

Monoisotopic Mass:

346.193g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1

Literature

Title	Journal
Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure.	Environmental science & technology 20120821
Chemical composition and mosquito larvicidal activities of Salvia essential oils.	Pharmaceutical biology 20110501
Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase.	Journal of medicinal chemistry 20090514
Enantiomerization of chiral uranyl-salophen complexes via unprecedented ligand hemilability: toward configurationally stable derivatives.	The Journal of organic chemistry 20080815
Measurement of estrogenic activity of chemicals for the development of new dental polymers.	Toxicology in vitro : an international journal published in association with BIBRA 20010101