Ethyl 7-methoxy-1-benzofuran-2-carboxylate

C12H12O4CAS 50551-58-1220.22 g/mol

Open in Covalent MOL file
OOOO
EsterEther

Properties

Molecular formula
C12H12O4
Molar mass
220.22 g/mol
Exact mass
220.0736 Da
logP
2.62Crippen estimate
Polar surface area
48.7 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
50551-58-1
SMILES
CCOC(=O)C1=CC2=C(O1)C(=CC=C2)OC
InChIKey
SXCMZYVXJUJIDJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O4/c1-3-15-12(13)10-7-8-5-4-6-9(14-2)11(8)16-10/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 7-methoxybenzofuran-2-carboxylate

Work with Ethyl 7-methoxy-1-benzofuran-2-carboxylate

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

1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-962 % similar 7-Methoxy-1-benzofuran-2-carboxylic acid4790-79-861 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-960 % similar Ethyl 2-methoxybenzoate7335-26-457 % similar 7-Ethoxybenzofuran-2-carboxylic acid206559-61-754 % similar 2-Methoxy-6-methyl-benzoic acid ethyl ester6520-83-852 % similar Diethyl 2,5-furandicarboxylate53662-83-250 % similar Ethyl 5-aminobenzofuran-2-carboxylate174775-48-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook