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71113-23-0 | Phenol,2,2'-methylenebis[4,6-bis(1-methyl-1-phenylethyl)-
CAS No: 71113-23-0 Catalog No: AG005E8P MDL No:
Product Description
Catalog Number:
AG005E8P
Chemical Name:
Phenol,2,2'-methylenebis[4,6-bis(1-methyl-1-phenylethyl)-
CAS Number:
71113-23-0
Molecular Formula:
C49H52O2
Molecular Weight:
672.9360
IUPAC Name:
2-[[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]methyl]-4,6-bis(2-phenylpropan-2-yl)phenol
InChI:
InChI=1S/C49H52O2/c1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39/h9-28,30-33,50-51H,29H2,1-8H3
InChI Key:
BDZGHYNUCXZCMQ-UHFFFAOYSA-N
SMILES:
Oc1c(Cc2cc(cc(c2O)C(c2ccccc2)(C)C)C(c2ccccc2)(C)C)cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C
EC Number:
275-200-6
Properties
Complexity:
978
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
672.397g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
672.953g/mol
Monoisotopic Mass:
672.397g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3
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