3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol

C15H17FO2 — CID 114723863

IUPAC3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
SMILESCCC1CCC(O)(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C15H17FO2/c1-2-10-6-7-15(17,9-10)13-8-11-4-3-5-12(16)14(11)18-13/h3-5,8,10,17H,2,6-7,9H2,1H3
InChIKeyLKIGZTWHCQMSLJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.97
Rot. Bonds2

About 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol

3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol (PubChem CID 114723863) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
PubChem CID114723863
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
SMILESCCC1CCC(O)(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C15H17FO2/c1-2-10-6-7-15(17,9-10)13-8-11-4-3-5-12(16)14(11)18-13/h3-5,8,10,17H,2,6-7,9H2,1H3
InChIKeyLKIGZTWHCQMSLJ-UHFFFAOYSA-N
XLogP3.97
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol?
The IUPAC name of 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol (CID 114723863) is 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol is CCC1CCC(O)(c2cc3cccc(F)c3o2)C1.
What is the InChIKey of 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol?
The InChIKey is LKIGZTWHCQMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-2-10-6-7-15(17,9-10)13-8-11-4-3-5-12(16)14(11)18-13/h3-5,8,10,17H,2,6-7,9H2,1H3.
What are the key properties of 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol?
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol has a molecular weight of 248.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 114723863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).