2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
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Basic information
- CAS
679414-78-9- Standard SMILES
CCOc1cc(CO)cc(Cl)c1OCc1ccccc1C#N- InChIKey
VQXQKOBJOYDHIK-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO3
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0818711
Names & identifiers
- Preferred name
- 2-{[2-Chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrile
- IUPAC
- 2-[[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile
- English name
- 2-[[2-CHLORO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]METHYL]-BENZONITRILE
- Molecular formula
- C17H16ClNO3
- Molecular weight
- 0
Names & synonyms
679414-78-92-{[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl}benzonitrileSTK1990212-[[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]methyl]benzonitrile2-[[2-CHLORO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]METHYL]-BENZONITRILEDTXSID20358414AKOS000335868SR-01000266176SR-01000266176-1BENZONITRILE, 2-[[2-CHLORO-6-ETHOXY-4-(HYDROXYMETHYL)PHENOXY]METHYL]-
Database identifiers
- CAS
679414-78-9- PubChem CID
- 893879
- DTXSID
DTXSID20358414
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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