2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile

C14H17NO2 — CID 65493238

IUPAC2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCOc1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C14H17NO2/c1-2-16-12-5-3-4-6-13(12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyXTYQFJQVJGGDAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile

2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile (PubChem CID 65493238) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
PubChem CID65493238
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCOc1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C14H17NO2/c1-2-16-12-5-3-4-6-13(12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyXTYQFJQVJGGDAH-UHFFFAOYSA-N
XLogP3.16
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65479716
2-[1-[(2-ethoxy-4-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65496923
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
2-[1-[(2-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65497135
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile (CID 65493238) is 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile is CCOc1ccccc1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The InChIKey is XTYQFJQVJGGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-12-5-3-4-6-13(12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3.
What are the key properties of 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile has a molecular weight of 231.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65493238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).