9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane

C16H21FO2 — CID 79923322

IUPAC9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
SMILESCc1ccc(F)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H21FO2/c1-12-4-5-14(17)15(10-12)19-13-6-9-18-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyUJLQCLGMTOBKDH-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.00
Rot. Bonds2

About 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane

9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane (PubChem CID 79923322) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
PubChem CID79923322
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
SMILESCc1ccc(F)c(OC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C16H21FO2/c1-12-4-5-14(17)15(10-12)19-13-6-9-18-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyUJLQCLGMTOBKDH-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(chloromethyl)-4-methylphenoxy]-1-oxaspiro[5.5]undecane
CID 79900246
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79905124
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
8-(5-chloro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 79923323
4-(2,5-dimethylphenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81005535
4-(5-bromo-2-fluorophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 114672924
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
9-(5-bromo-2-methylphenoxy)-6-oxaspiro[4.5]decane
CID 107284316
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
4-(4-bromo-2-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79906041

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane?
The IUPAC name of 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane (CID 79923322) is 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane is Cc1ccc(F)c(OC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane?
The InChIKey is UJLQCLGMTOBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-12-4-5-14(17)15(10-12)19-13-6-9-18-16(11-13)7-2-3-8-16/h4-5,10,13H,2-3,6-9,11H2,1H3.
What are the key properties of 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane?
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane has a molecular weight of 264.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79923322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).