2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile

C13H14ClNO — CID 43292471

IUPAC2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1OCc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c14-12-6-2-1-4-11(12)9-16-13-7-3-5-10(13)8-15/h1-2,4,6,10,13H,3,5,7,9H2
InChIKeyCNEDFWVNVZGRSN-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile

2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile (PubChem CID 43292471) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
PubChem CID43292471
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1OCc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c14-12-6-2-1-4-11(12)9-16-13-7-3-5-10(13)8-15/h1-2,4,6,10,13H,3,5,7,9H2
InChIKeyCNEDFWVNVZGRSN-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
CID 43292468
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(furan-2-ylmethoxy)cycloheptane-1-carbonitrile
CID 43292120
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
2-(thiophen-2-ylmethoxy)cycloheptane-1-carbonitrile
CID 114997035
4-[(2-chlorophenyl)methoxy]pyrrolidin-3-ol
CID 63701872
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675600
3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
CID 104674447
3-bromo-4-[(2-chlorophenyl)methoxy]thiolane 1,1-dioxide
CID 114772829
2-(2-chloroanilino)cyclopentane-1-carbonitrile
CID 62741656
2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
3-chloro-4-[(2-methylcyclohexyl)oxymethyl]benzonitrile
CID 102665812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile (CID 43292471) is 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile is N#CC1CCCC1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile?
The InChIKey is CNEDFWVNVZGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-12-6-2-1-4-11(12)9-16-13-7-3-5-10(13)8-15/h1-2,4,6,10,13H,3,5,7,9H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile?
2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile has a molecular weight of 235.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43292471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).