Basic information
- CAS
4482-17-1- Standard SMILES
OC(C#CC(O)c1ccccc1)c1ccccc1- InChIKey
JYKDEDMACOKPEM-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1,4-Diphenylbut-2-yne-1,4-diol
- IUPAC
- 1,4-diphenylbut-2-yne-1,4-diol
- English name
- 1,4-diphenylbut-2-yne-1,4-diol
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
1,4-diphenylbut-2-yne-1,4-diol4482-17-1DTXSID80281138RefChem:220815DTXCID902322921,4-diphenyl-2-butyne-1,4-diolNSC20237Oprea1_432791SCHEMBL9547891CHEMBL4207491NSC-202371,4diphenyl-1,4-dihydroxy-2-butyne
Show more names
2-Butyne-1,4-diol, 1,4-diphenyl-
AKOS024263280AF-676/00077040
Database identifiers
- CAS
4482-17-1- PubChem CID
- 227983
- DTXSID
DTXSID80281138- ChEMBL
CHEMBL4207491- Nikkaji
- J427.187D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Chemistry & industry
Suppliers3 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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