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Home > Indoles and Oxindole > 88972-93-4
88972-93-4 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(3-methyl-1H-indol-2-yl)-
CAS No: 88972-93-4 Catalog No: AG0046V3 MDL No:
Product Description
Catalog Number:
AG0046V3
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(3-methyl-1H-indol-2-yl)-
CAS Number:
88972-93-4
Molecular Formula:
C23H29NO
Molecular Weight:
335.4825
IUPAC Name:
2,6-ditert-butyl-4-(3-methyl-1H-indol-2-yl)phenol
InChI:
InChI=1S/C23H29NO/c1-14-16-10-8-9-11-19(16)24-20(14)15-12-17(22(2,3)4)21(25)18(13-15)23(5,6)7/h8-13,24-25H,1-7H3
InChI Key:
PNHPWLMAFUQSSC-UHFFFAOYSA-N
SMILES:
Cc1c([nH]c2c1cccc2)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.491g/mol
Monoisotopic Mass:
335.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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