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Home > Other Building Blocks > 2362-14-3
2362-14-3 | Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CAS No: 2362-14-3 Catalog No: AG002NXD MDL No:MFCD00086141
Product Description
Catalog Number:
AG002NXD
Chemical Name:
Phenol, 4,4'-cyclohexylidenebis[2-methyl-
CAS Number:
2362-14-3
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
MDL Number:
MFCD00086141
IUPAC Name:
4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol
InChI:
InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
InChI Key:
SVOBELCYOCEECO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)C1(CCCCC1)c1ccc(c(c1)C)O
EC Number:
219-110-7
NSC Number:
73731
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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 |
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