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Home > Indoles and Oxindole > 889951-98-8
889951-98-8 | 5-[4-(Benzyloxy)phenyl]-1H-indole
CAS No: 889951-98-8 Catalog No: AG01EYIY MDL No:
Product Description
Catalog Number:
AG01EYIY
Chemical Name:
5-[4-(Benzyloxy)phenyl]-1H-indole
CAS Number:
889951-98-8
Molecular Formula:
C21H17NO
Molecular Weight:
299.3658
IUPAC Name:
5-(4-phenylmethoxyphenyl)-1H-indole
InChI:
InChI=1S/C21H17NO/c1-2-4-16(5-3-1)15-23-20-9-6-17(7-10-20)18-8-11-21-19(14-18)12-13-22-21/h1-14,22H,15H2
InChI Key:
TWKXRHPSJZZPKV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.373g/mol
Monoisotopic Mass:
299.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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