chempirical

7-Methoxy-3H-isobenzofuran-1-one

C9H8O3CAS 28281-58-5164.16 g/mol

Open in Covalent MOL file
OOO
EsterEtherLactone

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
logP
1.37Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
28281-58-5
SMILES
COC1=CC=CC2=C1C(=O)OC2
InChIKey
SQDGLTMPUVJBDH-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O3/c1-11-7-4-2-3-6-5-12-9(10)8(6)7/h2-4H,5H2,1H3

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Names and synonyms

8 names
  • 7-Methoxy-3H-2-benzofuran-1-one
  • 7-Methoxyphthalide
  • 7-Methoxyisobenzofuran-1(3H)-one
  • 7-Methoxy-1,3-dihydro-2-benzofuran-1-one
  • 7-Methoxy-2-benzofuran-1(3H)-one
  • 7-Methoxy phthalide
  • 7-Methoxylisobenzofuran-1(3H)-one
  • 1(3H)-Isobenzofuranone, 7-methoxy-

Work with 7-Methoxy-3H-isobenzofuran-1-one

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

Methyl 2,6-dimethoxybenzoate2065-27-257 % similar Ethyl 2-methoxy-6-methylbenzoate6520-83-856 % similar 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-751 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-250 % similar 2,6-Dimethoxybenzoic acid1466-76-849 % similar 2,6-Dimethoxybenzoyl chloride1989-53-349 % similar Phthalide87-41-247 % similar Ethyl 2-methoxybenzoate7335-26-446 % similar

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

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 1,4-Benzodioxan-6-carboxaldehyde29668-44-8

Elsewhere

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