2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane

C17H24O2 — CID 102901507

IUPAC2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESCCc1ccc(OCC2CCC3(CCCC3)O2)cc1
InChIInChI=1S/C17H24O2/c1-2-14-5-7-15(8-6-14)18-13-16-9-12-17(19-16)10-3-4-11-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyCOLSYSOASXLNBM-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.12
Rot. Bonds4

About 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane

2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane (PubChem CID 102901507) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
PubChem CID102901507
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane
SMILESCCc1ccc(OCC2CCC3(CCCC3)O2)cc1
InChIInChI=1S/C17H24O2/c1-2-14-5-7-15(8-6-14)18-13-16-9-12-17(19-16)10-3-4-11-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyCOLSYSOASXLNBM-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-butan-2-ylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107668992
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898340
2-[(3-bromophenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102898159
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
5-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896116
4-methoxy-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896203
2-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898755
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898749

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane (CID 102901507) is 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane is CCc1ccc(OCC2CCC3(CCCC3)O2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
The InChIKey is COLSYSOASXLNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-14-5-7-15(8-6-14)18-13-16-9-12-17(19-16)10-3-4-11-17/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane?
2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane has a molecular weight of 260.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-1-oxaspiro[4.4]nonane is sourced from PubChem (CID 102901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).