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

C15H19NO3 — CID 65495663

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 Name2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65495663
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[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
XLogP2.65
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[(2-ethoxy-4-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65496923
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[4-(hydroxymethyl)-2,6-dimethylphenoxy]methyl]cyclopropyl]acetonitrile
CID 65496090
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]methyl]cyclopropyl]acetonitrile
CID 79009106
2-[1-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
2-[1-[[4-(chloromethyl)-2-fluorophenoxy]methyl]cyclopropyl]acetonitrile
CID 107691307
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495309
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934

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).