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Basic information
- CAS
80151-20-8- Standard SMILES
CC(C)(O)C#Cc1ccc(C#N)cc1- InChIKey
TVANBECCZHGWDQ-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 4-(4-Cyanophenyl)-2-methyl-3-butyne-2-ol
- IUPAC
- 4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile
Names & synonyms
80151-20-84-(4-cyanophenyl)-2-methyl-3-butyne-2-olDTXSID10384909RefChem:287990DTXCID303359334-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)BENZONITRILEBenzonitrile, 4-(3-hydroxy-3-methyl-1-butynyl)-4-(3-hydroxy-3-methylbut-1-ynyl)benzonitrile3-methyl-1-(4'-cyanophenyl)-1-butyn-3-olSCHEMBL6865029TVANBECCZHGWDQ-UHFFFAOYSA-NHMS1665D12
Show more names
AKOS0041181403-methyl-1-(4'-cyanophenyl)-1-butyne-3-ol4-cyano-(3-hydroxy-3-methylbutynyl) benzene4-cyano- (3-hydroxy-3-methylbutynyl) benzene
Database identifiers
- CAS
80151-20-8- PubChem CID
- 2822155
- DTXSID
DTXSID10384909- Nikkaji
- J1.210.969E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 301
Related reactions
10 records
Compound notes
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