4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane

C17H24O2 — CID 79923185

IUPAC4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
SMILESCc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24O2/c1-14-5-7-15(8-6-14)19-16-9-12-18-17(13-16)10-3-2-4-11-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyMJRMHWSHFHNGEC-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.26
Rot. Bonds2

About 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane

4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane (PubChem CID 79923185) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
PubChem CID79923185
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
SMILESCc1ccc(OC2CCOC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24O2/c1-14-5-7-15(8-6-14)19-16-9-12-18-17(13-16)10-3-2-4-11-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyMJRMHWSHFHNGEC-UHFFFAOYSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
9-(4-methylphenoxy)-6-oxa-2-thiaspiro[4.5]decane
CID 79923057
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane (CID 79923185) is 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane is Cc1ccc(OC2CCOC3(CCCCC3)C2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane?
The InChIKey is MJRMHWSHFHNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-14-5-7-15(8-6-14)19-16-9-12-18-17(13-16)10-3-2-4-11-17/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane?
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane has a molecular weight of 260.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 79923185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).