Name: Name:Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-methyl-
Brand: Angene
SKU: AG001GJO
Rating: 90 (10 reviews)

Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-methyl-

CAS No.:

14151-63-4

Catalog Number:

AG001GJO

Molecular Formula:

C16H18O2

Molecular Weight:

242.3129

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Product Description

Catalog Number:

AG001GJO

Chemical Name:

Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-2-methyl-

CAS Number:

14151-63-4

Molecular Formula:

C16H18O2

Molecular Weight:

242.3129

MDL Number:

MFCD30534142

IUPAC Name:

4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol

InChI:

InChI=1S/C16H18O2/c1-11-10-13(6-9-15(11)18)16(2,3)12-4-7-14(17)8-5-12/h4-10,17-18H,1-3H3

InChI Key:

HFRAJYYHALXFLZ-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)C(c1ccc(c(c1)C)O)(C)C

Properties

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.318g/mol

Monoisotopic Mass:

242.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERα-selective antagonist.	Bioorganic & medicinal chemistry letters 20130715