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89527-30-0 | Phenol, methylenebis[cyclohexyl(1-phenylethyl)-
CAS No: 89527-30-0 Catalog No: AG003Z19 MDL No:
Product Description
Catalog Number:
AG003Z19
Chemical Name:
Phenol, methylenebis[cyclohexyl(1-phenylethyl)-
CAS Number:
89527-30-0
Molecular Formula:
C41H48O2
Molecular Weight:
572.8186
IUPAC Name:
4-cyclohexyl-2-[[3-cyclohexyl-6-hydroxy-2-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
InChI:
InChI=1S/C41H48O2/c1-28(30-15-7-3-8-16-30)40-34(32-19-11-5-12-20-32)23-25-38(42)36(40)27-37-39(43)26-24-35(33-21-13-6-14-22-33)41(37)29(2)31-17-9-4-10-18-31/h3-4,7-10,15-18,23-26,28-29,32-33,42-43H,5-6,11-14,19-22,27H2,1-2H3
InChI Key:
IEPSPHBAIOLKJD-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1Cc1c(O)ccc(c1C(c1ccccc1)C)C1CCCCC1)C(c1ccccc1)C)C1CCCCC1
Properties
Complexity:
735
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
572.365g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
572.833g/mol
Monoisotopic Mass:
572.365g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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