3-[4-(2-Methylbutan-2-yl)phenoxy]benzoic acid
Basic information
- CAS
74525-53-4- Standard SMILES
CCC(C)(C)c1ccc(Oc2cccc(C(=O)O)c2)cc1- InChIKey
JFXXHIZGJDHSSF-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 3-[4-(2-Methylbutan-2-yl)phenoxy]benzoic acid
- IUPAC
- 3-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid
Names & synonyms
NSC79623-[4-(2-methylbutan-2-yl)phenoxy]benzoic acid74525-53-4MLS000737888NSC-7962NCIStruc1_000156NCIStruc2_000190CHEMBL1369728SCHEMBL17258281DTXSID80278528NCI7962HMS2884M22
Show more names
CCG-37728NCGC000130883-(4-tert-pentylphenoxy)benzoic acidAKOS013258983NCGC00013088-02NCGC00096211-01NCI60_041758SMR000528076
Database identifiers
- CAS
74525-53-4- PubChem CID
- 222268
- DTXSID
DTXSID80278528- ChEMBL
CHEMBL1369728
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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