8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C14H17FO3 — CID 15232681

IUPAC8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H17FO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2
InChIKeyBBKOAONWYJVESW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.33
Rot. Bonds1

About 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 15232681) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID15232681
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H17FO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2
InChIKeyBBKOAONWYJVESW-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 15232681) is 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is BBKOAONWYJVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2.
What are the key properties of 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 252.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 15232681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).