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

C₁₀H₁₀O₃CAS 1774-11-4178.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₃
Molar mass: 178.19 g/mol
Exact mass: 178.0630 Da
logP: 1.69Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

Weigh it out

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

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 5-(2-Chloro-6-fluorophenyl)-1,3-cyclohexanedione175136-88-641 % similar Furfurylidene diacetate613-75-239 % similar Furoin552-86-338 % similar Alpha-furil492-94-436 % similar 2-Furfural diethyl acetal13529-27-635 % similar α-(Aminomethyl)-2-furanmethanol2745-22-435 % 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

PubChem CAS Common Chemistry NIST WebBook