ethinyl estradiol

(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 57-63-6

Molecular Formula	`C20H24O2`
Molecular Weight	296.4 g/mol
LogP	3.7
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	296.17764
Heavy Atoms	22
Complexity	505.0

Chemical Identifiers

CAS Number	57-63-6
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O`
InChIKey	`BFPYWIDHMRZLRN-SLHNCBLASA-N`

📖 Product Overview

ethinyl estradiol (CAS: 57-63-6) is a chemical compound with molecular formula C20H24O2 and molecular weight 296.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. LogP 3.7 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 296.17764 Heavy Atoms 22 Complexity 505.0 InChI Key: BFPYWIDHMRZLRN-SLHNCBLASA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O.

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