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Home > Indoles and Oxindole > 91444-15-4
91444-15-4 | 1H-Indole, 2-ethyl-5-methoxy-3-(4-methoxyphenyl)-
CAS No: 91444-15-4 Catalog No: AG006AOI MDL No:
Product Description
Catalog Number:
AG006AOI
Chemical Name:
1H-Indole, 2-ethyl-5-methoxy-3-(4-methoxyphenyl)-
CAS Number:
91444-15-4
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
2-ethyl-5-methoxy-3-(4-methoxyphenyl)-1H-indole
InChI:
InChI=1S/C18H19NO2/c1-4-16-18(12-5-7-13(20-2)8-6-12)15-11-14(21-3)9-10-17(15)19-16/h5-11,19H,4H2,1-3H3
InChI Key:
DHCHALZWKAYURB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(CC)[nH]c2c1cc(OC)cc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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