2-(2-benzofuran-1-yloxy)cyclopentan-1-ol

C13H14O3 — CID 172549938

IUPAC2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
SMILESOC1CCCC1Oc1occ2ccccc12
InChIInChI=1S/C13H14O3/c14-11-6-3-7-12(11)16-13-10-5-2-1-4-9(10)8-15-13/h1-2,4-5,8,11-12,14H,3,6-7H2
InChIKeyRTWRZUHRMGBJKL-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol

2-(2-benzofuran-1-yloxy)cyclopentan-1-ol (PubChem CID 172549938) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
PubChem CID172549938
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
SMILESOC1CCCC1Oc1occ2ccccc12
InChIInChI=1S/C13H14O3/c14-11-6-3-7-12(11)16-13-10-5-2-1-4-9(10)8-15-13/h1-2,4-5,8,11-12,14H,3,6-7H2
InChIKeyRTWRZUHRMGBJKL-UHFFFAOYSA-N
XLogP2.72
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol?
The IUPAC name of 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol (CID 172549938) is 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol.
What is the SMILES notation for 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol?
The canonical SMILES for 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol is OC1CCCC1Oc1occ2ccccc12.
What is the InChIKey of 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol?
The InChIKey is RTWRZUHRMGBJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-6-3-7-12(11)16-13-10-5-2-1-4-9(10)8-15-13/h1-2,4-5,8,11-12,14H,3,6-7H2.
What are the key properties of 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol?
2-(2-benzofuran-1-yloxy)cyclopentan-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzofuran-1-yloxy)cyclopentan-1-ol is sourced from PubChem (CID 172549938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).