Drosophilin A
Basic information
- CAS
484-67-3- Standard SMILES
COc1c(Cl)c(Cl)c(O)c(Cl)c1Cl- InChIKey
XIWJLPHQDBDOAN-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4O2
- Average molar mass
- 261.9 g/mol
- Monoisotopic mass
- 259.89654
Names & identifiers
- Preferred name
- Drosophilin A
- IUPAC
- 2,3,5,6-tetrachloro-4-methoxyphenol
- English name
- 4-Methoxy-2,3,5,6-tetrachlorophenol
- Molecular formula
- C7H4Cl4O2
- Molecular weight
- 261.92
Names & synonyms
Drosophilin A2,3,5,6-Tetrachloro-4-methoxyphenol484-67-3p-Methoxytetrachlorophenol4-Methoxy-2,3,5,6-tetrachlorophenolPhenol, 2,3,5,6-tetrachloro-4-methoxy-Tetrachloro-p-methoxyphenolUNII-9L66708EXW9L66708EXWDROSOPHILIN A [MI]DTXSID90197514TETRACHLORO-4-METHOXYPHENOL
Show more names
Phenol 2,3,5,6-tetrachloro-4-methoxyRefChem:135833DTXCID50120005XIWJLPHQDBDOAN-UHFFFAOYSA-NDrosophilinMFCD259637002,3,5,6-tetrachloro-4-methoxy-phenolSCHEMBL554721
Database identifiers
- CAS
484-67-3- PubChem CID
- 68088
- DTXSID
DTXSID90197514- ChEMBL
CHEMBL485806- UNII
- 9L66708EXW
- Nikkaji
- J107.376A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 114 ° · 114°
- Boiling point
- 311.2 · 311.2±37.0 °C(Predicted)
- Density
- 1.5756 · 1.5756 (estimate)
- pka
- 5.61 · 5.61±0.33(Predicted)
- FDA UNII
- 9 L66708EXW · 9L66708EXW
Chemistry & industry
Applications
UsesDrosophilin is an antibacterial agent found in fungi, including Drosophilin A, B, C, and D. Drosophilin inhibits the growth of Gram-positive bacteria[1].
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Compound notes
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