2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile

C14H16ClNO — CID 79019427

IUPAC2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
SMILESCOc1ccc(Cl)cc1C(C#N)C1CCCC1
InChIInChI=1S/C14H16ClNO/c1-17-14-7-6-11(15)8-12(14)13(9-16)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3
InChIKeyYYUJTXZLLBSTQX-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.15
Rot. Bonds3

About 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile

2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile (PubChem CID 79019427) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
PubChem CID79019427
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
SMILESCOc1ccc(Cl)cc1C(C#N)C1CCCC1
InChIInChI=1S/C14H16ClNO/c1-17-14-7-6-11(15)8-12(14)13(9-16)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3
InChIKeyYYUJTXZLLBSTQX-UHFFFAOYSA-N
XLogP4.15
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
2-(1-bromo-2-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 104546471
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765
2-cyclopropyl-2-(2,3-dimethoxyphenyl)acetonitrile
CID 83689906
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 104546339
2-(5-chloro-2-methoxyphenyl)-3-pyrrolidin-1-ylpropanenitrile
CID 82091614
2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile (CID 79019427) is 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile is COc1ccc(Cl)cc1C(C#N)C1CCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile?
The InChIKey is YYUJTXZLLBSTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-17-14-7-6-11(15)8-12(14)13(9-16)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile?
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile has a molecular weight of 249.74 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile is sourced from PubChem (CID 79019427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).