Methallenestril | |
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Molecular structure via molpic based on CDK |
Conformer [] | |
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Conformer structure via JSmol |
Physical properties [] | |
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Molecular mass | 286.4 g/mol [1] |
Appearance | CRYSTALS FROM DIL METHANOL [1] |
Melting point | 139-140 °C [1] |
Solubility | SOL IN ETHER & VEGETABLE OILS; INSOL IN WATER; FREELY SOL IN CHLOROFORM [1] |
Predicted LogP | 4.7 [1] |
Structural Identifiers [] | |
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Molecular formula | C18H22O3 [1] |
IUPAC name | 3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid [1] |
SMILES | CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C)(C)C(=O)O [1] |
InChI | InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20) [1] |
InChIKey | KHLJKRBMZVNZOC-UHFFFAOYSA-N [1] |
Methallenestril
Methallenestril (also known as Methallenestrol, Novestrine, Vallestril, Ercostrol, Methallenoestril, Metalenestrilo, Methallenoestrolum, Methallenestrilum, 3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentanoic acid or 3-(6-Methoxy-2-naphthyl)-2,2-dimethylvaleriansaeure)
Chemistry
Stereochemistry []
(RS)-Methallenestril is a racemic mixture of the optical stereoisomers