3-Ethylacetophenone

C10H12OCAS 22699-70-3148.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
logP
2.45Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22699-70-3
SMILES
CCC1=CC(=CC=C1)C(=O)C
InChIKey
ZRYRILAFFDKOPB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-3-9-5-4-6-10(7-9)8(2)11/h4-7H,3H2,1-2H3

Weigh it out

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Names and synonyms

1 names
  • Acetophenone, 3-ethyl-

Work with 3-Ethylacetophenone

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

1,3-Diacetylbenzene6781-42-664 % similar 4′-Ethylacetophenone937-30-461 % similar 3′-Bromoacetophenone2142-63-455 % similar 3′-Fluoroacetophenone455-36-755 % similar 3′-Methylacetophenone585-74-055 % similar 1-(3-Chlorophenyl)ethanone99-02-555 % similar 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-454 % similar 1,3-Diethylbenzene141-93-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(4-Methylphenyl)propan-2-one2096-86-8 2',3'-Dimethylacetophenone2142-71-4

Elsewhere

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