5-Methyl-1-indanone

C₁₀H₁₀OCAS 4593-38-8146.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O
Molar mass: 146.19 g/mol
Exact mass: 146.0732 Da
logP: 2.12Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

4593-38-8

SMILES

CC1=CC2=C(C=C1)C(=O)CC2

InChIKey

KBHCTNGQJOEDDC-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6H,3,5H2,1H3

Weigh it out

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

Work with 5-Methyl-1-indanone

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-Bromo-1-indanone34598-49-764 % similar 7-Methyl-1-tetralone22009-37-660 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-059 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Iodo-1-indanone511533-38-359 % similar 5-Fluoro-1-indanone700-84-559 % similar 5-Methoxy-1-indanone5111-70-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methylcinnamaldehyde101-39-3 4-Phenyl-3-buten-2-one122-57-6 2-Phenyl-3-butyn-2-ol127-66-2 trans-4-Phenyl-3-buten-2-one1896-62-4 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 6-Methyl-1-indanone24623-20-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9

Elsewhere

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