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Home > Indoles and Oxindole > 198479-63-9
198479-63-9 | 1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
CAS No: 198479-63-9 Catalog No: AG002BJS MDL No:MFCD04004106
Product Description
Catalog Number:
AG002BJS
Chemical Name:
1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
CAS Number:
198479-63-9
Molecular Formula:
C29H25NO2
Molecular Weight:
419.5143
MDL Number:
MFCD04004106
IUPAC Name:
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
InChI:
InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
InChI Key:
KRIJKJMYOVWRSJ-UHFFFAOYSA-N
SMILES:
Cc1c([nH]c2c1cc(OCc1ccccc1)cc2)c1ccc(cc1)OCc1ccccc1
EC Number:
926-072-1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.189g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.524g/mol
Monoisotopic Mass:
419.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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