5-[(2-Methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
Basic information
- CAS
4616-22-2- Standard SMILES
Cc1ccccc1COc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1- InChIKey
YWWXFTRVVNQMNQ-UHFFFAOYSA-N- Molecular formula
- C23H18O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.12050905
Names & identifiers
- Preferred name
- 5-[(2-Methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
- IUPAC
- 5-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid
Names & synonyms
SLC26A3-IN-1307552-53-05-[(2-methylphenyl)methoxy]-2-phenyl-1-benzofuran-3-carboxylic acid4616-22-2CHEMBL5401140ChemDiv3_003150Oprea1_081723orb1745160DTXSID40359726HMS1481P045-[(2-methylbenzyl)oxy]-2-phenyl-1-benzofuran-3-carboxylic acidBDBM50623395
Show more names
STK887924AKOS001659377TS-09614HY-149802CS-0774242ST50038425BRD-K95342010-001-01-35-((2-methylbenzyl)oxy)-2-phenylbenzofuran-3-carboxylic acid
Database identifiers
- CAS
4616-22-2- PubChem CID
- 988884
- DTXSID
DTXSID40359726- ChEMBL
CHEMBL5401140
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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