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854306-72-2 | PHENOL, 2,2'-[[(1-METHYLETHYL)IMINO]BIS(1-PHENYL-3,1-PROPANEDIYL)]BIS[4-METHYL- (9CI)
CAS No: 854306-72-2 Catalog No: AG004JY1 MDL No:
Product Description
Catalog Number:
AG004JY1
Chemical Name:
PHENOL, 2,2'-[[(1-METHYLETHYL)IMINO]BIS(1-PHENYL-3,1-PROPANEDIYL)]BIS[4-METHYL- (9CI)
CAS Number:
854306-72-2
Molecular Formula:
C35H41NO2
Molecular Weight:
507.7055
IUPAC Name:
2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
InChI:
InChI=1S/C35H41NO2/c1-25(2)36(21-19-30(28-11-7-5-8-12-28)32-23-26(3)15-17-34(32)37)22-20-31(29-13-9-6-10-14-29)33-24-27(4)16-18-35(33)38/h5-18,23-25,30-31,37-38H,19-22H2,1-4H3
InChI Key:
OVJNATACTARGSL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(c1ccccc1)CCN(C(C)C)CCC(c1cc(C)ccc1O)c1ccccc1)O
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.314g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
507.718g/mol
Monoisotopic Mass:
507.314g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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