(2S)-2-(Phenoxymethyl)oxirane

C₉H₁₀O₂CAS 71031-03-3150.18 g/mol

Open in Covalent MOL file

Epoxide Ether

Properties

Molecular formula: C₉H₁₀O₂
Molar mass: 150.18 g/mol
Exact mass: 150.0681 Da
logP: 1.46Crippen estimate
Polar surface area: 21.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage95.1% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers
H350 May cause cancer97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71031-03-3

SMILES

c1ccc(OC[C@@H]2CO2)cc1

InChIKey

FQYUMYWMJTYZTK-SECBINFHSA-N

InChI

InChI=1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all

Oxirane, 2-(phenoxymethyl)-, (2S)-
Oxirane, (phenoxymethyl)-, (S)-
Oxirane, (phenoxymethyl)-, (2S)-
(S)-(Phenoxymethyl)oxirane
(S)-Phenyl glycidyl ether
(2S)-(+)-3-Phenoxy-1,2-epoxypropane
(S)-3-Phenoxy-1,2-epoxypropane
(+)-(2S)-(Phenoxymethyl)oxirane
(S)-2-(Phenoxymethyl)oxirane
(2S)-1,2-Epoxy-3-phenoxypropane
(2S)-3-Phenoxy-1,2-epoxypropane
(2S)-2-Phenoxymethyloxirane
(S)-Glycidyl phenyl ether
2-(S)-Phenoxymethyloxirane

Work with (2S)-2-(Phenoxymethyl)oxirane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R)-2-(Phenoxymethyl)oxirane71031-02-2Enantiomer Phenyl glycidyl ether122-60-1Stereo not defined

Similar compounds

1,4-Bis(2,3-epoxypropoxy)benzene2425-01-677 % similar Diglycidyl resorcinol ether101-90-672 % similar Bis(4-glycidyloxyphenyl)methane2095-03-663 % similar 4-Methoxyphenyl glycidyl ether2211-94-161 % similar Cresyl glycidyl ether26447-14-361 % similar N,N,O-Triglycidyl-p-aminophenol5026-74-457 % similar 9,9-Bis(4-glycidyloxyphenyl)fluorene47758-37-256 % similar Bisphenol A diglycidyl ether1675-54-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3

Elsewhere

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