2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile

Name: 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₉NO₃ — CID 65495663

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

IUPAC2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile

SMILESCCOc1cc(CO)ccc1OCC1(CC#N)CC1

InChIInChI=1S/C15H19NO3/c1-2-18-14-9-12(10-17)3-4-13(14)19-11-15(5-6-15)7-8-16/h3-4,9,17H,2,5-7,10-11H2,1H3

InChIKeyFUMXYISYFBHYFP-UHFFFAOYSA-N

MW261.32 g/mol

LogP2.65

Rot. Bonds7

About 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65495663) has the molecular formula C₁₅H₁₉NO₃ and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name	2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID	65495663
Molecular Formula	C₁₅H₁₉NO₃
Molecular Weight	261.32 g/mol
Exact Mass	261.14
IUPAC Name	2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
SMILES	CCOc1cc(CO)ccc1OCC1(CC#N)CC1
InChI	InChI=1S/C15H19NO3/c1-2-18-14-9-12(10-17)3-4-13(14)19-11-15(5-6-15)7-8-16/h3-4,9,17H,2,5-7,10-11H2,1H3
InChIKey	FUMXYISYFBHYFP-UHFFFAOYSA-N
XLogP	2.65
TPSA	62.48 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.32
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile?

The IUPAC name of 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile (CID 65495663) is 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile.

What is the SMILES notation for 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile?

The canonical SMILES for 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile is CCOc1cc(CO)ccc1OCC1(CC#N)CC1.

What is the InChIKey of 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile?

The InChIKey is FUMXYISYFBHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-18-14-9-12(10-17)3-4-13(14)19-11-15(5-6-15)7-8-16/h3-4,9,17H,2,5-7,10-11H2,1H3.

What are the key properties of 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile?

2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 261.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 65495663 — identifiers, structure, computed properties (public domain)

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