1-phenoxyspiro[3.5]nonan-3-one

Name: 1-phenoxyspiro[3.5]nonan-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₈O₂ — CID 66368840

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	1-phenoxyspiro[3.5]nonan-3-one
PubChem CID	66368840
Molecular Formula	C₁₅H₁₈O₂
Molecular Weight	230.31 g/mol
Exact Mass	230.13
IUPAC Name	1-phenoxyspiro[3.5]nonan-3-one
SMILES	O=C1CC(Oc2ccccc2)C12CCCCC2
InChI	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
InChIKey	MPGFDTMTVNIYBM-UHFFFAOYSA-N
XLogP	3.36
TPSA	26.30 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.31
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 66368840 — identifiers, structure, computed properties (public domain)

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