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139601-36-8 | [1,1'-Biphenyl]-2,5-diol, 4-(1,1-dimethyl-3-phenylpropyl)-
CAS No: 139601-36-8 Catalog No: AG001BCX MDL No:
Product Description
Catalog Number:
AG001BCX
Chemical Name:
[1,1'-Biphenyl]-2,5-diol, 4-(1,1-dimethyl-3-phenylpropyl)-
CAS Number:
139601-36-8
Molecular Formula:
C23H24O2
Molecular Weight:
332.4355
IUPAC Name:
2-(2-methyl-4-phenylbutan-2-yl)-5-phenylbenzene-1,4-diol
InChI:
InChI=1S/C23H24O2/c1-23(2,14-13-17-9-5-3-6-10-17)20-16-21(24)19(15-22(20)25)18-11-7-4-8-12-18/h3-12,15-16,24-25H,13-14H2,1-2H3
InChI Key:
FZCAWULGGNSYQJ-UHFFFAOYSA-N
SMILES:
Oc1cc(c(cc1c1ccccc1)O)C(CCc1ccccc1)(C)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.443g/mol
Monoisotopic Mass:
332.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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