6-Methoxy-4-chromanone

C₁₀H₁₀O₃CAS 5802-17-5178.19 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₀H₁₀O₃
Molar mass: 178.19 g/mol
Exact mass: 178.0630 Da
logP: 1.66Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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-Chlorochroman-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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