| CAS Number | 14178-66-6 |
| Catalog Number | AG00IOLS(AGN-PC-00B8XO) |
| Chemical Name | (3-Methylbenzofuran-2-yl)(phenyl)methanone |
| IUPAC Name | (3-methyl-1-benzofuran-2-yl)-phenylmethanone |
| InChI | InChI=1S/C16H12O2/c1-11-13-9-5-6-10-14(13)18-16(11)15(17)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChI Key | OHOPMPQDBXDVID-UHFFFAOYSA-N |
| MDL Number | MFCD11538785 |
| Molecular Formula | C16H12O2 |
| Molecular Weight | 236.2653 |
| SMILES | O=C(C1(=CC=CC=C1))C=2(OC3(=CC=CC=C3(C=2C))) |
| Synonyms | 14178-66-6,
(3-Methylbenzofuran-2-yl)(phenyl)methanone,
(3-methyl-1-benzofuran-2-yl)(phenyl)methanone,
(3-methyl-2-benzofuranyl)phenylMethanone,
(3-methylbenzofuran-2-yl)-phenyl-methanone,
2-Benzoyl-3-methylbenzofuran,
2-benzoyl-3-methyl-1-benzofuran,
KS-00001VH1,
ZINC15215861,
AKOS005872681,
3J-578S,
FT-0736198,
CID11543208,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.27g/mol |
| Monoisotopic Mass | 236.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number