4,5-Bis[(3,5-di-tert-butylphenyl)ethynyl]-2-methoxyphenol
Basic information
- CAS
269086-10-4- Standard SMILES
COc1cc(C#Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C#Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1O- InChIKey
IFQLQWCHSHBWCO-UHFFFAOYSA-N- Molecular formula
- C39H48O2
- Average molar mass
- 548.8 g/mol
- Monoisotopic mass
- 548.36543077
Names & identifiers
- Preferred name
- 4,5-Bis[(3,5-di-tert-butylphenyl)ethynyl]-2-methoxyphenol
- IUPAC
- 4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenol
Names & synonyms
269086-10-4DTXSID605737054,5-Bis[(3,5-di-tert-butylphenyl)ethynyl]-2-methoxyphenol
Database identifiers
- CAS
269086-10-4- PubChem CID
- 15529328
- DTXSID
DTXSID60573705- Nikkaji
- J1.435.378J
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 953
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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