2,4-Hexanediol, 2-(p-chlorophenyl)-4-ethyl-
Basic information
- CAS
21133-88-0- Standard SMILES
CCC(O)(CC)CC(C)(O)c1ccc(Cl)cc1- InChIKey
OGGGMEBJFMVQHK-UHFFFAOYSA-N- Molecular formula
- C14H21ClO2
- Average molar mass
- 256.77 g/mol
- Monoisotopic mass
- 256.1230076
Names & identifiers
- Preferred name
- 2,4-Hexanediol, 2-(p-chlorophenyl)-4-ethyl-
- IUPAC
- 2-(4-chlorophenyl)-4-ethylhexane-2,4-diol
- English name
- 2-(p-Chlorophenyl)-4-ethyl-2,4-hexanediol
- Molecular formula
- C14H21ClO2
- Molecular weight
- 256.77
Names & synonyms
21133-88-02,4-HEXANEDIOL, 2-(p-CHLOROPHENYL)-4-ETHYL-RefChem:10598302-(4-chlorophenyl)-4-ethylhexane-2,4-diolRD 60122-(p-Chlorophenyl)-4-ethyl-2,4-hexanediolBRN 2374891p-Chlorophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3DTXSID109434592,4-Hexanediol, 2-(4-chlorophenyl)-4-ethyl-
Database identifiers
- CAS
21133-88-0- PubChem CID
- 30496
- DTXSID
DTXSID10943459- Nikkaji
- J49.395C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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