2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile

C14H16BrNO — CID 43292647

IUPAC2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
SMILESCc1ccc(OC2CCCCC2C#N)c(Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5H2,1H3
InChIKeyWAEVACUFMBMUIV-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.22
Rot. Bonds2

About 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile

2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile (PubChem CID 43292647) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
PubChem CID43292647
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
SMILESCc1ccc(OC2CCCCC2C#N)c(Br)c1
InChIInChI=1S/C14H16BrNO/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5H2,1H3
InChIKeyWAEVACUFMBMUIV-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-(2,4,5-trichlorophenoxy)cyclohexane-1-carbonitrile
CID 43292539
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
CID 43292426
5-amino-2-(2-cyanocyclohexyl)oxybenzoic acid
CID 117096013
4-(2-cyanocyclopentyl)oxy-3-methoxybenzonitrile
CID 43292183
2-(2-aminophenoxy)cyclohexane-1-carbonitrile
CID 117095468
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(3,5-dimethoxyphenoxy)cyclohexane-1-carbonitrile
CID 43589877
3-bromo-4-[2-(methylamino)cyclohexyl]oxybenzonitrile
CID 102634370
4-(2-bromo-4-methylphenoxy)piperidine
CID 26191684
2-(4-chloro-3-methylphenoxy)cycloheptane-1-carbonitrile
CID 43292618

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile (CID 43292647) is 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile is Cc1ccc(OC2CCCCC2C#N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile?
The InChIKey is WAEVACUFMBMUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-6-7-14(12(15)8-10)17-13-5-3-2-4-11(13)9-16/h6-8,11,13H,2-5H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile?
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile has a molecular weight of 294.19 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).