(+)-Estrone 3-methyl ether
Properties
- Molecular formula
- C19H24O2
- Molar mass
- 284.40 g/mol
- Exact mass
- 284.1776 Da
- Melting point
- 164–165 °C
- logP
- 4.12Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Stereocentres
- R, S, S, Sin SMILES atom order
Hazards
Warning
- H302 Harmful if swallowed93.2% of notifiers
- H312 Harmful in contact with skin90.9% of notifiers
- H332 Harmful if inhaled90.9% of notifiers
- H351 Suspected of causing cancer97.7% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501
Identifiers
CAS number
1624-62-0SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12InChIKey
BCWWDWHFBMPLFQ-VXNCWWDNSA-NInChI
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Estra-1,3,5(10)-trien-17-one, 3-methoxy-
- 3-Methoxyestra-1,3,5(10)-trien-17-one
- Estrone 3-methyl ether
- Estrone methyl ether
- 3-Methoxyestra-1,3,5-trien-17-one
- 3-Methoxyoestra-1,3,5(10)-trien-17-one
- Oestrone methyl ether
- 3-Methoxyestrone
- 3-O-Methylestrone
- Estrone O-methyl ether
- 3-Methoxyestra-1,3,5(10)triene-17-one
- NSC 88911
- (+)-Estrone methyl ether
- Mestrone
- (8R,9S,13S,14S)-3-Methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
Work with (+)-Estrone 3-methyl ether
Similar compounds
Estrone53-16-770 % similar
Conjugated estrogens12126-59-969 % similar
Ogen7280-37-767 % similar
Mestranol72-33-352 % similar
Dimenformon dipropionate113-38-246 % similar
Estradiol benzoate50-50-045 % similar
Promestriene39219-28-844 % similar
Estramustine2998-57-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds