1-phenoxyspiro[3.5]nonan-3-one

C15H18O2 — CID 66368840

IUPAC1-phenoxyspiro[3.5]nonan-3-one
SMILESO=C1CC(Oc2ccccc2)C12CCCCC2
InChIInChI=1S/C15H18O2/c16-13-11-14(15(13)9-5-2-6-10-15)17-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyMPGFDTMTVNIYBM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds2

About 1-phenoxyspiro[3.5]nonan-3-one

1-phenoxyspiro[3.5]nonan-3-one (PubChem CID 66368840) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-phenoxyspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1-phenoxyspiro[3.5]nonan-3-one
PubChem CID66368840
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-phenoxyspiro[3.5]nonan-3-one
SMILESO=C1CC(Oc2ccccc2)C12CCCCC2
InChIInChI=1S/C15H18O2/c16-13-11-14(15(13)9-5-2-6-10-15)17-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2
InChIKeyMPGFDTMTVNIYBM-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxyspiro[3.5]nonan-3-one?
The IUPAC name of 1-phenoxyspiro[3.5]nonan-3-one (CID 66368840) is 1-phenoxyspiro[3.5]nonan-3-one.
What is the SMILES notation for 1-phenoxyspiro[3.5]nonan-3-one?
The canonical SMILES for 1-phenoxyspiro[3.5]nonan-3-one is O=C1CC(Oc2ccccc2)C12CCCCC2.
What is the InChIKey of 1-phenoxyspiro[3.5]nonan-3-one?
The InChIKey is MPGFDTMTVNIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-13-11-14(15(13)9-5-2-6-10-15)17-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2.
What are the key properties of 1-phenoxyspiro[3.5]nonan-3-one?
1-phenoxyspiro[3.5]nonan-3-one has a molecular weight of 230.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyspiro[3.5]nonan-3-one is sourced from PubChem (CID 66368840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).