2-(2-ethylphenoxy)cyclopentane-1-carbonitrile

C14H17NO — CID 43292906

IUPAC2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
SMILESCCc1ccccc1OC1CCCC1C#N
InChIInChI=1S/C14H17NO/c1-2-11-6-3-4-8-13(11)16-14-9-5-7-12(14)10-15/h3-4,6,8,12,14H,2,5,7,9H2,1H3
InChIKeyYYUADWQXMXHWAQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile

2-(2-ethylphenoxy)cyclopentane-1-carbonitrile (PubChem CID 43292906) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
PubChem CID43292906
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
SMILESCCc1ccccc1OC1CCCC1C#N
InChIInChI=1S/C14H17NO/c1-2-11-6-3-4-8-13(11)16-14-9-5-7-12(14)10-15/h3-4,6,8,12,14H,2,5,7,9H2,1H3
InChIKeyYYUADWQXMXHWAQ-UHFFFAOYSA-N
XLogP3.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
CID 43292903
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
2-(2-aminophenoxy)cyclohexane-1-carbonitrile
CID 117095468
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(2-cyanocycloheptyl)oxybenzamide
CID 43292463
2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
CID 43292471
4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
CID 43292392
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile (CID 43292906) is 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile is CCc1ccccc1OC1CCCC1C#N.
What is the InChIKey of 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile?
The InChIKey is YYUADWQXMXHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-11-6-3-4-8-13(11)16-14-9-5-7-12(14)10-15/h3-4,6,8,12,14H,2,5,7,9H2,1H3.
What are the key properties of 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile?
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43292906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).