Phenethyl alcohol, alpha,alpha'-(ethynylenedi-p-phenylene)di-
Completing data — refresh the page later to see the latest
Basic information
- CAS
96970-04-6- Standard SMILES
OC(Cc1ccccc1)c1ccc(C#Cc2ccc(C(O)Cc3ccccc3)cc2)cc1- InChIKey
RGSCNPXSACHTGQ-UHFFFAOYSA-N- Molecular formula
- C30H26O2
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.19328007
Names & identifiers
- Preferred name
- Phenethyl alcohol, alpha,alpha'-(ethynylenedi-p-phenylene)di-
- IUPAC
- 1-[4-[2-[4-(1-hydroxy-2-phenylethyl)phenyl]ethynyl]phenyl]-2-phenylethanol
- English name
- Bis(p-(alpha-hydroxyphenethyl)phenyl)acetylene
- Molecular formula
- C30H26O2
- Molecular weight
- 0
Names & synonyms
96970-04-6RefChem:368638Phenethyl alcohol, alpha,alpha'-(ethynylenedi-p-phenylene)di-Bis(p-(alpha-hydroxyphenethyl)phenyl)acetyleneRGSCNPXSACHTGQ-UHFFFAOYSA-NDTXSID8012160081,1'-[Ethyne-1,2-diyldi(4,1-phenylene)]bis(2-phenylethan-1-ol)Phenethyl alcohol, I+/-,I+/-a(2)-(ethynylenedi-p-phenylene)di-1-(4-([4-(1-Hydroxy-2-phenylethyl)phenyl]ethynyl)phenyl)-2-phenylethanol #p,p'-Bis-(α-hydroxy-β-phenyl-ethyl)-tolan
Database identifiers
- CAS
96970-04-6- PubChem CID
- 629975
- DTXSID
DTXSID801216008- Nikkaji
- J1.399.916C
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 537
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…