1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol

C16H12F2O — CID 88785057

IUPAC1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccccc1-c1cc(F)ccc1F
InChIInChI=1S/C16H12F2O/c1-2-13(19)9-11-5-3-4-6-14(11)15-10-12(17)7-8-16(15)18/h1,3-8,10,13,19H,9H2
InChIKeyWUXYIJUVBHCKBR-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.17
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol

1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol (PubChem CID 88785057) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol
PubChem CID88785057
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccccc1-c1cc(F)ccc1F
InChIInChI=1S/C16H12F2O/c1-2-13(19)9-11-5-3-4-6-14(11)15-10-12(17)7-8-16(15)18/h1,3-8,10,13,19H,9H2
InChIKeyWUXYIJUVBHCKBR-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluorophenyl)phenol
CID 53218546
1,4-difluoro-2-(2-iodophenyl)benzene
CID 172676558
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CID 63080039
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol
CID 155021950
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanol
CID 61086986
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
2-[4-fluoro-2-(2-fluorophenyl)phenyl]acetamide
CID 46212372
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225310
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol?
The IUPAC name of 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol (CID 88785057) is 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol is C#CC(O)Cc1ccccc1-c1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol?
The InChIKey is WUXYIJUVBHCKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O/c1-2-13(19)9-11-5-3-4-6-14(11)15-10-12(17)7-8-16(15)18/h1,3-8,10,13,19H,9H2.
What are the key properties of 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol?
1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol has a molecular weight of 258.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol is sourced from PubChem (CID 88785057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).