2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
Basic information
- CAS
21133-89-1- Standard SMILES
CCC(O)(CC)CC(C)(O)c1ccc(Br)cc1- InChIKey
LJESTSRMCGGACG-UHFFFAOYSA-N- Molecular formula
- C14H21BrO2
- Average molar mass
- 301.22 g/mol
- Monoisotopic mass
- 300.07249
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
- IUPAC
- 2-(4-bromophenyl)-4-ethylhexane-2,4-diol
Names & synonyms
2-(4-bromophenyl)-4-ethylhexane-2,4-diol21133-89-1DTXSID20943460RefChem:1061177DTXCID0013718282,4-HEXANEDIOL, 2-(p-BROMOPHENYL)-4-ETHYL-RD 6013BRN 2115773p-Bromophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3
Database identifiers
- CAS
21133-89-1- PubChem CID
- 30497
- DTXSID
DTXSID20943460- Nikkaji
- J49.388K
Properties
Computed structural properties
- XLogP
- 3.3
- 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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