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

C15H19FO4 — CID 82770535

IUPAC8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3
InChIKeyLSKGOKOCQURMFE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.34
Rot. Bonds2

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

8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 82770535) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID82770535
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3
InChIKeyLSKGOKOCQURMFE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 82770535) is 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is COc1ccc(F)cc1C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is LSKGOKOCQURMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-18-13-3-2-11(16)10-12(13)14(17)4-6-15(7-5-14)19-8-9-20-15/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 282.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 82770535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).