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827306-38-7 | Phenol, 2-(1,1-dimethylethyl)-6-[[[(1S)-1-phenylethyl]imino]methyl]-
CAS No: 827306-38-7 Catalog No: AG0050QT MDL No:
Product Description
Catalog Number:
AG0050QT
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-6-[[[(1S)-1-phenylethyl]imino]methyl]-
CAS Number:
827306-38-7
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
2-tert-butyl-6-[[(1S)-1-phenylethyl]iminomethyl]phenol
InChI:
InChI=1S/C19H23NO/c1-14(15-9-6-5-7-10-15)20-13-16-11-8-12-17(18(16)21)19(2,3)4/h5-14,21H,1-4H3/t14-/m0/s1
InChI Key:
DOKCBTVLGJDIGK-AWEZNQCLSA-N
SMILES:
C[C@@H](c1ccccc1)N=Cc1cccc(c1O)C(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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