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2467-25-6 | Phenol, 4,4'-methylenebis[2-methyl-
CAS No: 2467-25-6 Catalog No: AG002P01 MDL No:MFCD08276400
Product Description
Catalog Number:
AG002P01
Chemical Name:
Phenol, 4,4'-methylenebis[2-methyl-
CAS Number:
2467-25-6
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
MDL Number:
MFCD08276400
IUPAC Name:
4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol
InChI:
InChI=1S/C15H16O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8,16-17H,9H2,1-2H3
InChI Key:
MIFGCULLADMRTF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)Cc1ccc(c(c1)C)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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