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

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

C₁₇H₂₂O₃ — CID 66369109

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

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 Name	1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
PubChem CID	66369109
Molecular Formula	C₁₇H₂₂O₃
Molecular Weight	274.36 g/mol
Exact Mass	274.16
IUPAC Name	1-[3-(methoxymethyl)phenoxy]spiro[3.5]nonan-3-one
SMILES	COCc1cccc(OC2CC(=O)C23CCCCC3)c1
InChI	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
InChIKey	CNOIDDLHWZTJLI-UHFFFAOYSA-N
XLogP	3.50
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.36
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 66369109 — identifiers, structure, computed properties (public domain)

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