Propan-2-yl 5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Basic information
- CAS
6238-58-0- Standard SMILES
CCOC(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1- InChIKey
CDTPFGSUQYTDAX-UHFFFAOYSA-N- Molecular formula
- C17H20O6
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12598835
Names & identifiers
- Preferred name
- Propan-2-yl 5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- propan-2-yl 5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Names & synonyms
propan-2-yl 5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate300556-72-36238-58-0isopropyl 5-(2-ethoxy-2-oxoethoxy)-2-methylbenzofuran-3-carboxylateCBMicro_002697Oprea1_166722DTXSID20357588SMSF0018511STK806053AKOS001600464CB04296CCG-105460
Show more names
BIM-0002628.P001ST50038151SR-01000456710SR-01000456710-1F0308-0028Z275122358isopropyl 5-(2-ethoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylateethyl 2-{2-methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yloxy}acetate
Database identifiers
- CAS
6238-58-0- PubChem CID
- 854533
- DTXSID
DTXSID20357588
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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