Estrone
Properties
- Molecular formula
- C18H22O2
- Molar mass
- 270.37 g/mol
- Exact mass
- 270.1620 Da
- Density
- 1.236 g/mL (at 25 °C)
- Melting point
- 260.2 °C
- Boiling point
- 154 °C
- logP
- 3.82Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
- Stereocentres
- S, S, R, Sin SMILES atom order
Identifiers
CAS number
53-16-7SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=OInChIKey
DNXHEGUUPJUMQT-CBZIJGRNSA-NInChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
61 names · show all
- Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
- 3-Hydroxyestra-1,3,5(10)-trien-17-one
- Aquacrine
- Crinovaryl
- Cristallovar
- Crystogen
- Destrone
- Disynformon
- Endofolliculina
- 1,3,5(10)-Estratrien-3-ol-17-one
- Estrugenone
- Estrusol
- Femestrone injection
- Femidyn
- Folikrin
- Folipex
- Folisan
- Follestrine
- Follicular hormone
- Folliculin
- Follicunodis
- Follidrin
- Glandubolin
- Hiestrone
- Hormofollin
- Hormovarine
- 3-Hydroxy-17-keto-estra-1,3,5-triene
- Kestrone
- Ketodestrin
- Ketohydroxyestrin
- Kolpon
- Menagen
- Menformon
- Oestrin
- Oestroform
- Oestrone
- Oestroperos
- Ovifollin
- Perlatan
- Solliculin
- Theelin
- Thelykinin
- Thynestron
- Wynestron
- Unden
- 3-Hydroxyoestra-1,3,5(10)-trien-17-one
- 3-Hydroxyestra-1,3,5(10)-triene-17-one
- Estrovarin
- Estron
- Tokokin
- Follestrol
- δ1,3,5(10)-Estratrien-3-ol-17-one
- (+)-Estrone
- Femestrone inj.
- Thelestrin
- Fermidyn
- NSC 9699
- Folliculin (steroid)
- WAY 164397
- Folliculinum
- (8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
Work with Estrone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(+)-Estrone 3-methyl ether1624-62-070 % similar
Ogen7280-37-761 % similar
Conjugated estrogens12126-59-960 % similar
Estradiol50-28-257 % similar
17α-Estradiol57-91-057 % similar
Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-856 % similar
Estra-1,3,5(10),16-tetraen-3-ol1150-90-956 % similar
Estradiol hemihydrate35380-71-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds