2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile

C14H17NO2 — CID 65492412

IUPAC2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCOc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-16-12-3-5-13(6-4-12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyWLQQKXJUPVJETD-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile

2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile (PubChem CID 65492412) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
PubChem CID65492412
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
SMILESCCOc1ccc(OCC2(CC#N)CC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-16-12-3-5-13(6-4-12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3
InChIKeyWLQQKXJUPVJETD-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-[(4-ethylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65495359
2-[1-[(4-methylsulfanylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493248
2-[1-[[4-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480304
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-ethoxybenzene
CID 65008315
2-[1-[[3-fluoro-4-(1-hydroxyethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 107719474
2-[1-[[6-(aminomethyl)-3-pyridinyl]oxymethyl]cyclopropyl]acetonitrile
CID 79776192
2-[1-[[2-ethoxy-4-(hydroxymethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65495663
2-[1-[(2-ethoxy-4-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65496923
2-[1-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 102747144
3-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-methylbenzonitrile
CID 107658063

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile (CID 65492412) is 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile is CCOc1ccc(OCC2(CC#N)CC2)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
The InChIKey is WLQQKXJUPVJETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-16-12-3-5-13(6-4-12)17-11-14(7-8-14)9-10-15/h3-6H,2,7-9,11H2,1H3.
What are the key properties of 2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-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-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65492412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).