chempirical

6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one

C11H12O4CAS 16135-41-4208.21 g/mol

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EsterEtherLactone

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
logP
1.30Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
16135-41-4
SMILES
COC1=C(C=C2COC(=O)CC2=C1)OC
InChIKey
XEZRPKWKRMROBK-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-13-9-3-7-5-11(12)15-6-8(7)4-10(9)14-2/h3-4H,5-6H2,1-2H3

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Names and synonyms

10 names
  • 6,7-Dimethoxy-1,4-dihydroisochromen-3-one
  • 6,7-Dimethoxyisochroman-3-one
  • 6,7-Dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one
  • 3H-2-Benzopyran-3-one, 1,4-dihydro-6,7-dimethoxy-
  • 6,7-Dimethoxy-3-isochromanone
  • 6,7-Dimethoxy-1,4-dihydro-3H-2-benzopyran-3-one
  • 6,7-Dimethoxy-1H-isochromen-3(4H)-one
  • 3H-2-Benzopyran-3-one,1,4-dihydro-6,7-dimethoxy-
  • 6,7-Dimethoxy-isochroman-3-one
  • 6,7-Dimethoxy-3-isochroman-3-one

Work with 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one

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Similar compounds

3-Isochromanone4385-35-750 % similar Ethyl 3,4-dimethoxybenzeneacetate18066-68-749 % similar Methyl 2-methoxybenzeneacetate27798-60-346 % similar 5,6-Dimethoxy-1-indanone2107-69-944 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-241 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-939 % similar (3,4-Dimethoxyphenyl)acetone776-99-839 % similar Ethyl p-methoxyphenylacetate14062-18-138 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate105560-93-8 3,4-Dimethoxycinnamic acid14737-89-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5 Methyl ferulate2309-07-1

Elsewhere

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