(4-Amino-3'-chloro-biphenyl-3-yl)-dipropynyl-methanol

HCID 22736629
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Basic information

Standard SMILES
CC#CC(O)(C#CC)c1cc(-c2cccc(Cl)c2)ccc1N
InChIKey
UAQBYHRNBMVANO-UHFFFAOYSA-N
Molecular formula
C19H16ClNO
Average molar mass
309.8 g/mol

Names & identifiers

Preferred name
(4-Amino-3'-chloro-biphenyl-3-yl)-dipropynyl-methanol
IUPAC
4-[2-amino-5-(3-chlorophenyl)phenyl]hepta-2,5-diyn-4-ol

Names & synonyms

SCHEMBL4357757UAQBYHRNBMVANO-UHFFFAOYSA-N(4-amino-3'-chloro-biphenyl-3-yl) -dipropynyl-methanol(4-amino-3'-chloro-biphenyl-3-yl)-dipropynyl-methanol

Database identifiers

PubChem CID
22736629

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
22

Related reactions

5 records
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Compound notes

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