Estradiol 3-propyl ether

(8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol

CAS: 22034-63-5

Molecular Formula	`C21H30O2`
Molecular Weight	314.5 g/mol
LogP	3.9
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	314.22458
Heavy Atoms	23
Complexity	422.0

Chemical Identifiers

CAS Number	22034-63-5
SMILES	`CCCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C`
InChIKey	`OKWLCMYNQNHQSR-MJCUULBUSA-N`

📖 Product Overview

Estradiol 3-propyl ether (CAS: 22034-63-5) is a chemical compound with molecular formula C21H30O2 and molecular weight 314.5 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17S)-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol. LogP 3.9 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 314.22458 Heavy Atoms 23 Complexity 422.0 InChI Key: OKWLCMYNQNHQSR-MJCUULBUSA-N. SMILES: CCCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C.

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