2-(4-tert-Butylphenyl)-1-benzofuran-6-carboxylic acid
Basic information
- CAS
104224-12-6- Standard SMILES
CC(C)(C)c1ccc(-c2cc3ccc(C(=O)O)cc3o2)cc1- InChIKey
YBCWQMCCLMMXNR-UHFFFAOYSA-N- Molecular formula
- C19H18O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12559443
Names & identifiers
- Preferred name
- 2-(4-tert-Butylphenyl)-1-benzofuran-6-carboxylic acid
- IUPAC
- 2-(4-tert-butylphenyl)-1-benzofuran-6-carboxylic acid
Names & synonyms
104224-12-62-(4-(tert-Butyl)phenyl)benzofuran-6-carboxylic acid2-(4-tert-Butylphenyl)-1-benzofuran-6-carboxylic acidSCHEMBL8456663DTXSID50545496
Database identifiers
- CAS
104224-12-6- PubChem CID
- 13633586
- DTXSID
DTXSID50545496
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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