2-(2-bromophenoxy)cyclopentane-1-carbonitrile

C12H12BrNO — CID 43292592

IUPAC2-(2-bromophenoxy)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Oc1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7H2
InChIKeyPVKIHYUGXAFOCU-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.52
Rot. Bonds2

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

2-(2-bromophenoxy)cyclopentane-1-carbonitrile (PubChem CID 43292592) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-(2-bromophenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-bromophenoxy)cyclopentane-1-carbonitrile
PubChem CID43292592
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-(2-bromophenoxy)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Oc1ccccc1Br
InChIInChI=1S/C12H12BrNO/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7H2
InChIKeyPVKIHYUGXAFOCU-UHFFFAOYSA-N
XLogP3.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
2-(2-aminophenoxy)cyclohexane-1-carbonitrile
CID 117095468
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
CID 43292647
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
2-(2-cyanocycloheptyl)oxybenzamide
CID 43292463
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
3-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292493
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183
2-(2,4,5-trichlorophenoxy)cyclohexane-1-carbonitrile
CID 43292539
2-(2-bromophenyl)cycloheptane-1-carbonitrile
CID 82248729

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-bromophenoxy)cyclopentane-1-carbonitrile (CID 43292592) is 2-(2-bromophenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-bromophenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-bromophenoxy)cyclopentane-1-carbonitrile is N#CC1CCCC1Oc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)cyclopentane-1-carbonitrile?
The InChIKey is PVKIHYUGXAFOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7H2.
What are the key properties of 2-(2-bromophenoxy)cyclopentane-1-carbonitrile?
2-(2-bromophenoxy)cyclopentane-1-carbonitrile has a molecular weight of 266.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 43292592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).