Basic information
- CAS
40485-29-8- Standard SMILES
O=C(C#CCC1(O)CCCC1)c1ccccc1- InChIKey
CAWFPGCKNZOGFF-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- 4-(1-Hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
- IUPAC
- 4-(1-hydroxycyclopentyl)-1-phenylbut-2-yn-1-one
Names & synonyms
4-(1-hydroxycyclopentyl)-1-phenylbut-2-yn-1-one40485-29-8DTXSID50960862RefChem:1069720DTXCID601388704BRN 21057392-Butyn-1-one, 4-(1-hydroxycyclopentyl)-1-phenyl-4-(1-Hydroxycyclopentyl)-1-phenyl-2-butyn-1-one
Database identifiers
- CAS
40485-29-8- PubChem CID
- 218324
- DTXSID
DTXSID50960862
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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