chempirical

6-Methoxy-4-chromanone

C10H10O3CAS 5802-17-5178.19 g/mol

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OOO
EtherKetone

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
logP
1.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
5802-17-5
SMILES
COC1=CC2=C(C=C1)OCCC2=O
InChIKey
LQIYOSKKKUPTRP-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3

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Names and synonyms

1 names
  • 6-Methoxy-3,4-dihydro-2H-1-benzopyran-4-one

Work with 6-Methoxy-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

2-Bromo-2',5'-dimethoxyacetophenone1204-21-364 % similar 6-Methyl-4-chromanone39513-75-263 % similar 1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-562 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-361 % similar 6-Methoxy-1-indanone13623-25-159 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-959 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-059 % similar 7-Methoxy-1-tetralone6836-19-756 % 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 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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