2-Methoxyestradiol

C₁₉H₂₆O₃CAS 362-07-2302.41 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₉H₂₆O₃
Molar mass: 302.41 g/mol
Exact mass: 302.1882 Da
Melting point: 184–186 °C
logP: 3.62Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: R, S, S, S, Sin SMILES atom order

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled88.4% of notifiers
H301 Toxic if swallowed88.4% of notifiers
H311 Toxic in contact with skin88.4% of notifiers
H315 Causes skin irritation88.4% of notifiers
H319 Causes serious eye irritation88.4% of notifiers
H331 Toxic if inhaled88.4% of notifiers
H335 May cause respiratory irritation88.4% of notifiers
H350 May cause cancer88.4% of notifiers
H360 May damage fertility or the unborn child88.4% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure88.4% of notifiers
H400 Very toxic to aquatic life88.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

362-07-2

SMILES

COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

InChIKey

CQOQDQWUFQDJMK-SSTWWWIQSA-N

InChI

InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17β)-
Estra-1,3,5(10)-triene-3,17β-diol, 2-methoxy-
Estradiol, 2-methoxy-
(17β)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol
2-Methoxyestra-1,3,5(10)-triene-3,17β-diol
2-Hydroxyestradiol 2-methyl ether
NSC 659853
Panzem
2ME2
2-Methoxy-E2

Work with 2-Methoxyestradiol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Estradiol50-28-264 % similar Alpha-Estradiol57-91-064 % similar Estradiol hemihydrate35380-71-360 % similar Estradiol benzoate50-50-054 % similar Estramustine2998-57-449 % similar Estradiol 17-acetate1743-60-843 % similar Estriol50-27-143 % similar Promestriene39219-28-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-trans-Allethrin28434-00-6 (4-(Methoxymethyl)phenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate34388-29-9 19-Hydroxyandrostenedione510-64-5 9Alpha-Hydroxyandrost-4-ene-3,17-dione560-62-3 7-Keto-dehydroepiandrosterone566-19-8 Formestane566-48-3 Allethrin584-79-2 Allethrin84030-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook