2-(p-Methoxyphenyl)-2-phenyl-acetophenone - CAS 5543-97-5
Catalog: |
BB075883 |
Product Name: |
2-(p-Methoxyphenyl)-2-phenyl-acetophenone |
CAS: |
5543-97-5 |
Synonyms: |
2-(4-Methoxyphenyl)-1,2-diphenylethanone; 2-p-Anisyl-1,2-diphenylethanone; NSC 41231; α-(4-Methoxyphenyl)deoxybenzoin; 2-(4-Methoxyphenyl)-1,2-diphenyl-ethanone |
IUPAC Name: | 2-(4-methoxyphenyl)-1,2-diphenylethanone |
Description: | Intermediate in the preparation of clomiphene and tamoxifen analogs. |
Molecular Weight: | 302.37 |
Molecular Formula: | C21H18O2 |
Canonical SMILES: | COC1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C21H18O2/c1-23-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)21(22)18-10-6-3-7-11-18/h2-15,20H,1H3 |
InChI Key: | OSTWOIBSEBPRSM-UHFFFAOYSA-N |
Solubility: | Chloroform, Ethyl Acetate |
Appearance: | White Powder |
References: | Stanciuc, O. & Balaban, A.; J. Pharm. Sci. 82, 927 (1993). |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.130679813 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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