| CAS Number | 58697-64-6 |
| Catalog Number | AG00IAFO(AGN-PC-0WRA5H) |
| Chemical Name | 2-(1H-Indol-2-yl)-4-methylphenyl methyl ether |
| IUPAC Name | 2-(2-methoxy-5-methylphenyl)-1H-indole |
| InChI | InChI=1S/C16H15NO/c1-11-7-8-16(18-2)13(9-11)15-10-12-5-3-4-6-14(12)17-15/h3-10,17H,1-2H3 |
| InChI Key | IIKGIENOMFAECG-UHFFFAOYSA-N |
| MDL Number | MFCD05224922 |
| Molecular Formula | C16H15NO |
| Molecular Weight | 237.2964 |
| SMILES | COC1=C(C=C(C=C1)C)C=1NC2=CC=CC=C2C1 |
| Synonyms | 2-(2-methoxy-5-methylphenyl)-1H-indole,
58697-64-6,
2-(1H-indol-2-yl)-4-methylphenyl methyl ether,
SCHEMBL11656163,
AIN-1760,
ZINC1519054,
ZX-BK002875,
BBL021949,
MFCD05224922,
STK894667,
AKOS005143683,
MCULE-9391790203,
H8671,
2-(2-methoxy-5-methyl-phenyl)-1H-indole,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number