1-(2-phenoxyethynyl)cyclopentan-1-ol

C13H14O2 — CID 135075668

IUPAC1-(2-phenoxyethynyl)cyclopentan-1-ol
SMILESOC1(C#COc2ccccc2)CCCC1
InChIInChI=1S/C13H14O2/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-9H2
InChIKeyUGXVUAWELJUSQY-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.33
Rot. Bonds1

About 1-(2-phenoxyethynyl)cyclopentan-1-ol

1-(2-phenoxyethynyl)cyclopentan-1-ol (PubChem CID 135075668) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(2-phenoxyethynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-phenoxyethynyl)cyclopentan-1-ol
PubChem CID135075668
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(2-phenoxyethynyl)cyclopentan-1-ol
SMILESOC1(C#COc2ccccc2)CCCC1
InChIInChI=1S/C13H14O2/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-9H2
InChIKeyUGXVUAWELJUSQY-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.33
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 1-(2-phenoxyethynyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-phenoxyethynyl)cyclopentan-1-ol (CID 135075668) is 1-(2-phenoxyethynyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-phenoxyethynyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-phenoxyethynyl)cyclopentan-1-ol is OC1(C#COc2ccccc2)CCCC1.
What is the InChIKey of 1-(2-phenoxyethynyl)cyclopentan-1-ol?
The InChIKey is UGXVUAWELJUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-13(8-4-5-9-13)10-11-15-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-9H2.
What are the key properties of 1-(2-phenoxyethynyl)cyclopentan-1-ol?
1-(2-phenoxyethynyl)cyclopentan-1-ol has a molecular weight of 202.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethynyl)cyclopentan-1-ol is sourced from PubChem (CID 135075668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).