2,5-Diphenylhex-3-yne-2,5-diol
Basic information
- CAS
6289-26-5- Standard SMILES
CC(O)(C#CC(C)(O)c1ccccc1)c1ccccc1- InChIKey
HJVVXZWQDRNQEH-UHFFFAOYSA-N- Molecular formula
- C18H18O2
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.13067981
Names & identifiers
- Preferred name
- 2,5-Diphenylhex-3-yne-2,5-diol
- IUPAC
- 2,5-diphenylhex-3-yne-2,5-diol
- English name
- 2,5-diphenylhex-3-yne-2,5-diol
- Molecular formula
- C18H18O2
- Molecular weight
- 266.33432
Names & synonyms
2,5-Diphenylhex-3-yne-2,5-diol6289-26-53-Hexyne-2,5-diol, 2,5-diphenyl-2,5-Diphenyl-3-hexyne-2,5-diol3-Hexyne-2,5-diol,2,5-diphenyl-NSC5635EINECS 228-526-8AI3-23415SCHEMBL60173663-Hexyne-2, 2,5-diphenyl-DTXSID50978644NSC 5635
Show more names
NSC-5635MFCD02113735SBB013192STK776278AKOS005618251Hex-3-yne-2,5-diol, 2,5-diphenyl-ST087153NS00044575
Database identifiers
- CAS
6289-26-5- PubChem CID
- 94863
- DTXSID
DTXSID50978644- EC Number
- 228-526-8
- Nikkaji
- J53.479J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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