(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one

C13H12O2 — CID 158919384

IUPAC(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one
SMILESO=C1CCC[C@@]1(O)C#Cc1ccccc1
InChIInChI=1S/C13H12O2/c14-12-7-4-9-13(12,15)10-8-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7,9H2/t13-/m1/s1
InChIKeyWSWFQKAFGYGMEU-CYBMUJFWSA-N
MW200.24 g/mol
LogP1.52
Rot. Bonds

About (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one

(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one (PubChem CID 158919384) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one
PubChem CID158919384
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one
SMILESO=C1CCC[C@@]1(O)C#Cc1ccccc1
InChIInChI=1S/C13H12O2/c14-12-7-4-9-13(12,15)10-8-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7,9H2/t13-/m1/s1
InChIKeyWSWFQKAFGYGMEU-CYBMUJFWSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one (CID 158919384) is (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one is O=C1CCC[C@@]1(O)C#Cc1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one?
The InChIKey is WSWFQKAFGYGMEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-7-4-9-13(12,15)10-8-11-5-2-1-3-6-11/h1-3,5-6,15H,4,7,9H2/t13-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one?
(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one has a molecular weight of 200.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one is sourced from PubChem (CID 158919384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).