4-Tert-butylphenyl 2-furoate
Basic information
- CAS
313517-05-4- Standard SMILES
CC(C)(C)c1ccc(OC(=O)c2ccco2)cc1- InChIKey
XHNFPLUNQZDHIA-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- 4-Tert-butylphenyl 2-furoate
- IUPAC
- (4-tert-butylphenyl) furan-2-carboxylate
Names & synonyms
4-tert-butylphenyl 2-furoate313517-05-44-(1,1-Dimethylethyl)phenyl 2-furancarboxylate4-TERT-BUTYLPHENYL FURAN-2-CARBOXYLATECBDivE_001471DTXSID601246429CCG-15283AKOS0015695074-(tert-butyl)phenyl furan-2-carboxylateST003011SR-01000392720SR-01000392720-1
Database identifiers
- CAS
313517-05-4- PubChem CID
- 687301
- DTXSID
DTXSID601246429
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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