4-(4-Cyanophenyl)-2-methyl-3-butyne-2-ol

HCID 2822155

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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

Related reactions

10 records

Compound notes

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