Fenaftic Acid
Basic information
- CAS
27736-80-7- Standard SMILES
CCN(CC)C(=O)C1C2=C(CC(c3ccccc3)C1C(=O)O)CC(C)(C)CC2=O- InChIKey
FUXLDXFRSJXUQG-UHFFFAOYSA-N- Molecular formula
- C24H31NO4
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.22530847
Names & identifiers
- Preferred name
- Fenaftic Acid
- IUPAC
- 1-(diethylcarbamoyl)-6,6-dimethyl-8-oxo-3-phenyl-1,2,3,4,5,7-hexahydronaphthalene-2-carboxylic acid
- English name
- Fenaftic
- Molecular formula
- C24H31NO4
- Molecular weight
- 397.51
Names & synonyms
Fenaftic acid27736-80-7acido fenafticoacide fenaftiqueFenaftic acid [INN:DCF]UNII-V628N5FTX8V628N5FTX81-(Diethylcarbamoyl)-1,2,3,4,5,6,7,8-octahydro-6,6-dimethyl-8-oxo-3-phenyl-2-naphthoic acidFENAFTIC ACID [INN]acidum fenafticumRefChem:1400901-(diethylcarbamoyl)-6,6-dimethyl-8-oxo-3-phenyl-1,2,3,4,5,7-hexahydronaphthalene-2-carboxylic acid
Show more names
Fenaftic1-(diethylcarbamoyl)-8-keto-6,6-dimethyl-3-phenyl-1,2,3,4,5,7-hexahydronaphthalene-2-carboxylic acid
2-Naphthalenecarboxylic acid, 1-[(diethylamino)carbonyl]-1,2,3,4,5,6,7,8-octahydro-6,6-dimethyl-8-oxo-3-phenyl-SCHEMBL2111123CHEMBL2106307DTXSID408653921-(Diethylcarbamoyl)-6,6-dimethyl-8-oxo-3-phenyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carboxylic acidNS00121451Q27291577
Database identifiers
- CAS
27736-80-7- PubChem CID
- 216211
- DTXSID
DTXSID40865392- ChEMBL
CHEMBL2106307- UNII
- V628N5FTX8
- Nikkaji
- J10.407H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 698
Physicochemical properties
- Boiling point
- 593.3 · 593.3±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.88 · 3.88±0.70(Predicted)
- FDA UNII
- 628 N5FTX8 · V628N5FTX8
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Compound notes
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