3-(Benzyloxy)cyclobutan-1-one

C₁₁H₁₂O₂CAS 30830-27-4176.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.22 g/mol
Exact mass: 176.0837 Da
Density: 1.0896 g/mL (at 25 °C)
Boiling point: 123 °C (at 4 Torr)
logP: 1.93Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

30830-27-4

SMILES

O=C1CC(OCc2ccccc2)C1

InChIKey

GPPSQLLIFNWNSB-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2

Weigh it out

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

Names and synonyms

6 names

3-Benzyloxycyclobutanone
Cyclobutanone, 3-(phenylmethoxy)-
Cyclobutanone, 3-(benzyloxy)-
3-(Phenylmethoxy)cyclobutanone
3-Benzyloxycyclobutan-1-one
3-(Phenylmethoxy)cyclobutan-1-one

Work with 3-(Benzyloxy)cyclobutan-1-one

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

3-Benzyloxy-cyclobutanecarboxylic acid4958-02-558 % similar Benzyl 3-oxocyclobutanecarboxylate198995-91-457 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-754 % similar 2-(Phenylmethoxy)-1,3-propanediol14690-00-753 % similar N-Cbz-nortropinone130753-13-850 % similar (R)-(+)-2-Benzyloxypropionic acid100836-85-947 % similar Bis(phenylmethyl) carbonate3459-92-547 % similar Dibenzyl oxalate7579-36-447 % similar

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

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4

Elsewhere

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