2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid
Basic information
- CAS
6240-38-6- Standard SMILES
Cc1oc2ccc(OCC(=O)c3ccccc3)cc2c1C(=O)O- InChIKey
WFGPKABEQFCQKB-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 2-Methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acid
- IUPAC
- 2-methyl-5-phenacyloxy-1-benzofuran-3-carboxylic acid
Names & synonyms
6240-38-62-methyl-5-(2-oxo-2-phenylethoxy)-1-benzofuran-3-carboxylic acidCBMicro_003486Oprea1_1395552-methyl-5-phenacyloxy-1-benzofuran-3-carboxylic acid2-methyl-5-phenacyloxy-1-benzo[b]furan-3-carboxylic acidDTXSID80977963SMSF0018881AKOS002162325CB05247BIM-0003328.P001ST50038378
Show more names
SR-01000456855SR-01000456855-12-methyl-5-(2-oxo-2-phenylethoxy)benzo[b]furan-3-carboxylic acid
Database identifiers
- CAS
6240-38-6- PubChem CID
- 708279
- DTXSID
DTXSID80977963
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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