1-(4-ethylphenoxy)spiro[3.6]decan-3-one

C18H24O2 — CID 66368427

IUPAC1-(4-ethylphenoxy)spiro[3.6]decan-3-one
SMILESCCc1ccc(OC2CC(=O)C23CCCCCC3)cc1
InChIInChI=1S/C18H24O2/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,17H,2-6,11-13H2,1H3
InChIKeyUIQRHUMLXMJDMJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-ethylphenoxy)spiro[3.6]decan-3-one

1-(4-ethylphenoxy)spiro[3.6]decan-3-one (PubChem CID 66368427) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)spiro[3.6]decan-3-one.

Molecular Properties

Compound Name1-(4-ethylphenoxy)spiro[3.6]decan-3-one
PubChem CID66368427
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(4-ethylphenoxy)spiro[3.6]decan-3-one
SMILESCCc1ccc(OC2CC(=O)C23CCCCCC3)cc1
InChIInChI=1S/C18H24O2/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,17H,2-6,11-13H2,1H3
InChIKeyUIQRHUMLXMJDMJ-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenoxy)spiro[3.4]octan-3-one
CID 66367605
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 66368834
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641
1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
CID 66369109
1-(4-bromo-3-methylphenoxy)spiro[3.4]octan-3-one
CID 83134532
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.5]nonan-3-one
CID 66366370
3-chloro-1-(4-ethylphenoxy)spiro[3.6]decane
CID 66345879
1-(4-bromo-3-fluorophenoxy)spiro[3.5]nonan-3-one
CID 66368502
1-(3-methyl-4-propan-2-ylphenoxy)spiro[3.4]octan-3-one
CID 66369238
1-(3-fluoro-4-nitrophenoxy)spiro[3.5]nonan-3-one
CID 66367673
1-(2,5-dimethylphenoxy)spiro[3.5]nonan-3-one
CID 66369239

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)spiro[3.6]decan-3-one?
The IUPAC name of 1-(4-ethylphenoxy)spiro[3.6]decan-3-one (CID 66368427) is 1-(4-ethylphenoxy)spiro[3.6]decan-3-one.
What is the SMILES notation for 1-(4-ethylphenoxy)spiro[3.6]decan-3-one?
The canonical SMILES for 1-(4-ethylphenoxy)spiro[3.6]decan-3-one is CCc1ccc(OC2CC(=O)C23CCCCCC3)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)spiro[3.6]decan-3-one?
The InChIKey is UIQRHUMLXMJDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-14-7-9-15(10-8-14)20-17-13-16(19)18(17)11-5-3-4-6-12-18/h7-10,17H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-ethylphenoxy)spiro[3.6]decan-3-one?
1-(4-ethylphenoxy)spiro[3.6]decan-3-one has a molecular weight of 272.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)spiro[3.6]decan-3-one is sourced from PubChem (CID 66368427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).