1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile

C17H23NO — CID 28937692

IUPAC1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
SMILESCC(C)COc1ccc(C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyZBCFFBUYWKJALG-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile

1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile (PubChem CID 28937692) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
PubChem CID28937692
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile
SMILESCC(C)COc1ccc(C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyZBCFFBUYWKJALG-UHFFFAOYSA-N
XLogP4.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]-3-propan-2-ylcyclobutane-1-carbonitrile
CID 65016671
4-(4-ethoxyphenyl)piperidine-4-carbonitrile
CID 46941924
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194275
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
[1-[[4-(2-methylpropoxy)phenyl]methyl]cyclopentyl]methanamine
CID 95467774
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
CID 117047053
[4-(1-cyanocyclopentyl)phenyl]boronic acid
CID 75485914

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile (CID 28937692) is 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile is CC(C)COc1ccc(C2(C#N)CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile?
The InChIKey is ZBCFFBUYWKJALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14(2)12-19-16-8-6-15(7-9-16)17(13-18)10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile?
1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropoxy)phenyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 28937692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).