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Home > Indoles and Oxindole > 138469-78-0
138469-78-0 | 1H-Indole, 5-methoxy-3-(phenylmethyl)-
CAS No: 138469-78-0 Catalog No: AG00197U MDL No:
Product Description
Catalog Number:
AG00197U
Chemical Name:
1H-Indole, 5-methoxy-3-(phenylmethyl)-
CAS Number:
138469-78-0
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
3-benzyl-5-methoxy-1H-indole
InChI:
InChI=1S/C16H15NO/c1-18-14-7-8-16-15(10-14)13(11-17-16)9-12-5-3-2-4-6-12/h2-8,10-11,17H,9H2,1H3
InChI Key:
DYQVQQWHJQKKPY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)Cc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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