4H-1-Benzopyran-6-acetic acid, alpha-ethyl-4-oxo-2-phenyl-3-(phenylmethoxy)-
Basic information
- CAS
173469-88-0- Standard SMILES
CCC(C(=O)O)c1ccc2oc(-c3ccccc3)c(OCc3ccccc3)c(=O)c2c1- InChIKey
YTHOANFICVOVBU-UHFFFAOYSA-N- Molecular formula
- C26H22O5
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.1467238
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-4-oxo-2-phenyl-3-(phenylmethoxy)-
- IUPAC
- 2-(4-oxo-2-phenyl-3-phenylmethoxychromen-6-yl)butanoic acid
Names & synonyms
alpha-Ethyl-4-oxo-2-phenyl-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid173469-88-04H-1-Benzopyran-6-acetic acid, alpha-ethyl-4-oxo-2-phenyl-3-(phenylmethoxy)-RefChem:297420DTXSID209383912-[3-(Benzyloxy)-4-oxo-2-phenyl-4H-1-benzopyran-6-yl]butanoic acid
Database identifiers
- CAS
173469-88-0- PubChem CID
- 3075263
- DTXSID
DTXSID20938391
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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