| CAS Number | 59816-56-7 |
| Catalog Number | AG00IAM2(AGN-PC-0L1RVQ) |
| Chemical Name | 2-(3,4-dimethoxyphenyl)-1H-indole |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-1H-indole |
| InChI | InChI=1S/C16H15NO2/c1-18-15-8-7-12(10-16(15)19-2)14-9-11-5-3-4-6-13(11)17-14/h3-10,17H,1-2H3 |
| InChI Key | PMXYCPOAEXWDOA-UHFFFAOYSA-N |
| MDL Number | MFCD05224913 |
| Molecular Formula | C16H15NO2 |
| Molecular Weight | 253.2958 |
| SMILES | COc1cc(ccc1OC)c1cc2c([nH]1)cccc2 |
| Synonyms | 2-(3,4-dimethoxyphenyl)-1H-indole,
59816-56-7,
AC1MZAQ5,
CHEMBL2376034,
SCHEMBL10796083,
AIN-1748,
ZINC1519043,
ZX-BK001194,
BBL022376,
MFCD05224913,
STK166478,
AKOS001476771,
MCULE-2372103311,
1H-Indole, 2-(3,4-dimethoxyphenyl)-,
H9029,
ZINC01519043,
CID3895150,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.301g/mol |
| Monoisotopic Mass | 253.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number