1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol

C14H15FO3 — CID 114726295

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO3/c15-10-3-4-13-9(6-10)7-14(18-13)12(16)8-11-2-1-5-17-11/h3-4,6-7,11-12,16H,1-2,5,8H2
InChIKeyUCTYAEIXIFOIBT-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.17
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol

1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol (PubChem CID 114726295) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
PubChem CID114726295
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO3/c15-10-3-4-13-9(6-10)7-14(18-13)12(16)8-11-2-1-5-17-11/h3-4,6-7,11-12,16H,1-2,5,8H2
InChIKeyUCTYAEIXIFOIBT-UHFFFAOYSA-N
XLogP3.17
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070
[1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198804
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
1-(2-chloro-5-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 105397716
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol (CID 114726295) is 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol is OC(CC1CCCO1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol?
The InChIKey is UCTYAEIXIFOIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c15-10-3-4-13-9(6-10)7-14(18-13)12(16)8-11-2-1-5-17-11/h3-4,6-7,11-12,16H,1-2,5,8H2.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol?
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol has a molecular weight of 250.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 114726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).