1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one

C17H22O3 — CID 66369109

IUPAC1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
SMILESCOCc1cccc(OC2CC(=O)C23CCCCC3)c1
InChIInChI=1S/C17H22O3/c1-19-12-13-6-5-7-14(10-13)20-16-11-15(18)17(16)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-12H2,1H3
InChIKeyCNOIDDLHWZTJLI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.50
Rot. Bonds4

About 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one

1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one (PubChem CID 66369109) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
PubChem CID66369109
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
SMILESCOCc1cccc(OC2CC(=O)C23CCCCC3)c1
InChIInChI=1S/C17H22O3/c1-19-12-13-6-5-7-14(10-13)20-16-11-15(18)17(16)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-12H2,1H3
InChIKeyCNOIDDLHWZTJLI-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-[3-(methoxymethyl)phenoxy]spiro[3.6]decane
CID 66345392
1-phenoxyspiro[3.5]nonan-3-one
CID 66368840
1-(4-ethylphenoxy)spiro[3.6]decan-3-one
CID 66368427
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylcyclobutan-1-ol
CID 66343338
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
1-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-3-one
CID 83134773
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-chloro-2-ethyl-2-methylcyclobutyl)oxy-3-(methoxymethyl)benzene
CID 66345395
1-(2,5-dimethylphenoxy)spiro[3.5]nonan-3-one
CID 66369239

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one?
The IUPAC name of 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one (CID 66369109) is 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one.
What is the SMILES notation for 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one?
The canonical SMILES for 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one is COCc1cccc(OC2CC(=O)C23CCCCC3)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one?
The InChIKey is CNOIDDLHWZTJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-19-12-13-6-5-7-14(10-13)20-16-11-15(18)17(16)8-3-2-4-9-17/h5-7,10,16H,2-4,8-9,11-12H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one?
1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one has a molecular weight of 274.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one is sourced from PubChem (CID 66369109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).