2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile

C16H20ClNO — CID 43292468

IUPAC2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(OCc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO/c1-2-12-7-8-13(10-18)16(9-12)19-11-14-5-3-4-6-15(14)17/h3-6,12-13,16H,2,7-9,11H2,1H3
InChIKeyAUAAOOHAHMUPIQ-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.58
Rot. Bonds4

About 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile

2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile (PubChem CID 43292468) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
PubChem CID43292468
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(OCc2ccccc2Cl)C1
InChIInChI=1S/C16H20ClNO/c1-2-12-7-8-13(10-18)16(9-12)19-11-14-5-3-4-6-15(14)17/h3-6,12-13,16H,2,7-9,11H2,1H3
InChIKeyAUAAOOHAHMUPIQ-UHFFFAOYSA-N
XLogP4.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]cyclopentane-1-carbonitrile
CID 43292471
4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
CID 43292903
2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292922
4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile
CID 43479716
2-(2-chlorophenyl)sulfinyl-4-ethylcyclohexane-1-carbonitrile
CID 64690449
4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
CID 43292392
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675600
2-(2,3-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292222
4-methyl-2-phenylmethoxycyclohexane-1-carbonitrile
CID 43292101
2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292301
2-[(2-chlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile (CID 43292468) is 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(OCc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is AUAAOOHAHMUPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-2-12-7-8-13(10-18)16(9-12)19-11-14-5-3-4-6-15(14)17/h3-6,12-13,16H,2,7-9,11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile?
2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 277.79 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).