4-Hydroxyindan-1-one

C₉H₈O₂CAS 40731-98-4148.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
logP: 1.52Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

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

Identifiers

CAS number

40731-98-4

SMILES

C1CC(=O)C2=C1C(=CC=C2)O

InChIKey

CKSCMRNFDBWFND-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2

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Names and synonyms

1 names

4-Hydroxy-1-indanone

Work with 4-Hydroxyindan-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

5-Hydroxy-1-tetralone28315-93-781 % similar 2′-Hydroxydihydrochalcone3516-95-862 % similar 4-Chloroindan-1-one15115-59-061 % similar 4-Bromo-1-indanone15115-60-361 % similar 4-Methyl-1-indanone24644-78-859 % similar 4-Fluoro-1-indanone699-99-059 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-754 % similar 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-554 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 4-Acetylbenzaldehyde3457-45-2 5-Hydroxy-1-indanone3470-49-3 3-Isochromanone4385-35-7

Elsewhere

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