| CAS Number | 58697-59-9 |
| Catalog Number | AG00IAFN(AGN-PC-0NIP6E) |
| Chemical Name | 4-(1H-Indol-2-yl)-2-methylphenyl methyl ether |
| IUPAC Name | 2-(4-methoxy-3-methylphenyl)-1H-indole |
| InChI | InChI=1S/C16H15NO/c1-11-9-13(7-8-16(11)18-2)15-10-12-5-3-4-6-14(12)17-15/h3-10,17H,1-2H3 |
| InChI Key | DJJHGWVHJAQWFH-UHFFFAOYSA-N |
| MDL Number | MFCD05224924 |
| Molecular Formula | C16H15NO |
| Molecular Weight | 237.2964 |
| SMILES | COc1ccc(cc1C)c1cc2c([nH]1)cccc2 |
| Synonyms | 2-(4-methoxy-3-methylphenyl)-1H-indole,
58697-59-9,
4-(1H-indol-2-yl)-2-methylphenyl methyl ether,
1H-Indole, 2-(4-methoxy-3-methylphenyl)-,
SCHEMBL11659391,
CTK1E9107,
DTXSID80493113,
AIN-1762,
ZINC1519056,
ZX-BK002874,
BBL021948,
MFCD05224924,
STK894666,
AKOS005143684,
MCULE-5042851150,
H8678,
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| Complexity | 280 |
| 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 | 2 |
| Topological Polar Surface Area | 25A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number