4-Hydroxyindan-1-one

C9H8O2CAS 40731-98-4148.16 g/mol

Open in Covalent MOL file
OOH
KetonePhenol

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
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

Weigh it out

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

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'-Hydroxy-3-phenylpropiophenone3516-95-862 % 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

PubChem CAS Common Chemistry NIST WebBook