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Home > Indoles and Oxindole > 694525-86-5
694525-86-5 | Phenol, 4-[bis(1-methyl-1H-indol-3-yl)methyl]-2-methoxy-
CAS No: 694525-86-5 Catalog No: AG005M0Z MDL No:
Product Description
Catalog Number:
AG005M0Z
Chemical Name:
Phenol, 4-[bis(1-methyl-1H-indol-3-yl)methyl]-2-methoxy-
CAS Number:
694525-86-5
Molecular Formula:
C26H24N2O2
Molecular Weight:
396.4810
IUPAC Name:
4-[bis(1-methylindol-3-yl)methyl]-2-methoxyphenol
InChI:
InChI=1S/C26H24N2O2/c1-27-15-20(18-8-4-6-10-22(18)27)26(17-12-13-24(29)25(14-17)30-3)21-16-28(2)23-11-7-5-9-19(21)23/h4-16,26,29H,1-3H3
InChI Key:
COMUZDYXFIHANO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C(c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.49g/mol
Monoisotopic Mass:
396.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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