8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C16H17FO4 — CID 114724054

IUPAC8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cc3cccc(F)c3o2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H17FO4/c17-12-3-1-2-11-10-13(21-14(11)12)15(18)4-6-16(7-5-15)19-8-9-20-16/h1-3,10,18H,4-9H2
InChIKeyUEESJOVNXPUVBS-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.08
Rot. Bonds1

About 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 114724054) has the molecular formula C16H17FO4 and a molecular weight of 292.31 g/mol. Its IUPAC name is 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID114724054
Molecular FormulaC16H17FO4
Molecular Weight292.31 g/mol
Exact Mass292.11
IUPAC Name8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cc3cccc(F)c3o2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H17FO4/c17-12-3-1-2-11-10-13(21-14(11)12)15(18)4-6-16(7-5-15)19-8-9-20-16/h1-3,10,18H,4-9H2
InChIKeyUEESJOVNXPUVBS-UHFFFAOYSA-N
XLogP3.08
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
8-(5-bromo-2-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79743512
2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
CID 114734029
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724478
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
(7-fluoro-1-benzofuran-2-yl)-(4-methoxyoxan-4-yl)methanone
CID 114726210
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645

Frequently Asked Questions

What is the IUPAC name of 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 114724054) is 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2cc3cccc(F)c3o2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is UEESJOVNXPUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO4/c17-12-3-1-2-11-10-13(21-14(11)12)15(18)4-6-16(7-5-15)19-8-9-20-16/h1-3,10,18H,4-9H2.
What are the key properties of 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 292.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 114724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).