chempirical

6-Methyl-4-chromanone

C10H10O2CAS 39513-75-2162.19 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
logP
1.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 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
39513-75-2
SMILES
CC1=CC2=C(C=C1)OCCC2=O
InChIKey
RJHXEPLSJAVTFW-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3

Weigh it out

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Work with 6-Methyl-4-chromanone

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

6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-364 % similar 6-Methoxy-4-chromanone5802-17-563 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-962 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-062 % similar Chromanone491-37-257 % similar 6-Nitrochroman-4-one68043-53-855 % similar 6-Methyl-1-indanone24623-20-954 % similar 7-Bromo-4-chromanone18442-22-351 % similar

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

Same formula

Gamma-Phenyl-gamma-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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