7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol

C15H19FO4 — CID 102983340

IUPAC7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1ccc(F)cc1OC1CC2(CCC1O)OCCO2
InChIInChI=1S/C15H19FO4/c1-10-2-3-11(16)8-13(10)20-14-9-15(5-4-12(14)17)18-6-7-19-15/h2-3,8,12,14,17H,4-7,9H2,1H3
InChIKeyWICXXIOZZNDSGK-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.17
Rot. Bonds2

About 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol

7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 102983340) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID102983340
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCc1ccc(F)cc1OC1CC2(CCC1O)OCCO2
InChIInChI=1S/C15H19FO4/c1-10-2-3-11(16)8-13(10)20-14-9-15(5-4-12(14)17)18-6-7-19-15/h2-3,8,12,14,17H,4-7,9H2,1H3
InChIKeyWICXXIOZZNDSGK-UHFFFAOYSA-N
XLogP2.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol (CID 102983340) is 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol is Cc1ccc(F)cc1OC1CC2(CCC1O)OCCO2.
What is the InChIKey of 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is WICXXIOZZNDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-10-2-3-11(16)8-13(10)20-14-9-15(5-4-12(14)17)18-6-7-19-15/h2-3,8,12,14,17H,4-7,9H2,1H3.
What are the key properties of 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol?
7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 282.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 102983340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).