5-(2-Furyl)cyclohexane-1,3-dione

C10H10O3CAS 1774-11-4178.19 g/mol

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OOO
Ketone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
logP
1.69Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1774-11-4
SMILES
C1C(CC(=O)CC1=O)C2=CC=CO2
InChIKey
FYLTVHCMIYGVPZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h1-3,7H,4-6H2

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Names and synonyms

1 names
  • 5-(2-Furyl)-1,3-cyclohexanedione

Work with 5-(2-Furyl)cyclohexane-1,3-dione

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

5-Phenylcyclohexane-1,3-dione493-72-153 % similar 5-(4-Fluorophenyl)-1,3-cyclohexanedione55579-72-144 % similar 3-Amino-3-(furan-2-yl)propanoic acid73456-99-244 % similar 5-(2-Chloro-6-fluorophenyl)-1,3-cyclohexanedione175136-88-641 % similar Furfurylidene diacetate613-75-239 % similar Furoin552-86-338 % similar (3S,4S)-4-(Furan-2-yl)pyrrolidine-3-carboxylic acid959579-57-837 % similar Alpha-furil492-94-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3

Elsewhere

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