CAS 1568-83-8 | Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy- | CAS Number 1568-83-8

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1568-83-8 | Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy-

CAS No: 1568-83-8 Catalog No: AG001P0V MDL No:MFCD00984727

Product Description

Catalog Number:

AG001P0V

Chemical Name:

Benzene, 1,1'-(1-methylethylidene)bis[4-methoxy-

CAS Number:

1568-83-8

Molecular Formula:

C17H20O2

Molecular Weight:

256.3395

MDL Number:

MFCD00984727

IUPAC Name:

1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene

InChI:

InChI=1S/C17H20O2/c1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14/h5-12H,1-4H3

InChI Key:

OJYIBEYSBXIQOP-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(c1ccc(cc1)OC)(C)C

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.345g/mol

Monoisotopic Mass:

256.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Characterization of new bisphenol a metabolites produced by CD1 mice liver microsomes and S9 fractions.	Journal of agricultural and food chemistry 20040728
Assessment of the effects of metabolism on the estrogenic activity of xenoestrogens: a two-stage approach coupling human liver microsomes and a yeast estrogenicity assay.	The Journal of pharmacology and experimental therapeutics 20010201