5-[(3-Tert-butylphenoxy)methyl]thiophene-2-carboxylic acid
Basic information
- CAS
74556-67-5- Standard SMILES
CC(C)(C)c1cccc(OCc2ccc(C(=O)O)s2)c1- InChIKey
HCIHGJZSCXKLOT-UHFFFAOYSA-N- Molecular formula
- C16H18O3S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.09766561
Names & identifiers
- Preferred name
- 5-[(3-Tert-butylphenoxy)methyl]thiophene-2-carboxylic acid
- IUPAC
- 5-[(3-tert-butylphenoxy)methyl]thiophene-2-carboxylic acid
Names & synonyms
DTXSID701162773AKOS0127238635-[(3-tert-butylphenoxy)methyl]thiophene-2-carboxylic acid5-[[3-(1,1-Dimethylethyl)phenoxy]methyl]-2-thiophenecarboxylic acid74556-67-5
Database identifiers
- CAS
74556-67-5- PubChem CID
- 63416618
- DTXSID
DTXSID701162773
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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