4-(4-chlorophenyl)-2-methyl-5-phenyl-4,5-dihydrofuran-3-carboxylic Acid
Basic information
- CAS
17168-33-1- Standard SMILES
CC1=C(C(=O)O)C(c2ccc(Cl)cc2)C(c2ccccc2)O1- InChIKey
FURAOIUBEMAMNE-UHFFFAOYSA-N- Molecular formula
- C18H15ClO3
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.070972
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-2-methyl-5-phenyl-4,5-dihydrofuran-3-carboxylic Acid
- IUPAC
- 3-(4-chlorophenyl)-5-methyl-2-phenyl-2,3-dihydrofuran-4-carboxylic acid
Names & synonyms
4-(4-chlorophenyl)-2-methyl-5-phenyl-4,5-dihydrofuran-3-carboxylic AcidOprea1_283293DTXSID0011514544-(4-Chlorophenyl)-4,5-dihydro-2-methyl-5-phenyl-3-furancarboxylic acidAKOS02435959917168-33-1ST50989144
Database identifiers
- CAS
17168-33-1- PubChem CID
- 3437576
- DTXSID
DTXSID001151454
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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