4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile

C20H25NO — CID 142043979

IUPAC4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile
SMILESN#CC1=CCC(c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H25NO/c21-14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22-15-17-4-2-1-3-5-17/h6,10-13,17-18H,1-5,7-9,15H2
InChIKeySADMRAPKNMQFAC-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.36
Rot. Bonds4

About 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile

4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile (PubChem CID 142043979) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile
PubChem CID142043979
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile
SMILESN#CC1=CCC(c2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H25NO/c21-14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22-15-17-4-2-1-3-5-17/h6,10-13,17-18H,1-5,7-9,15H2
InChIKeySADMRAPKNMQFAC-UHFFFAOYSA-N
XLogP5.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(cyclohexylmethoxy)phenyl]cyclohexan-1-ol
CID 129014399
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CID 115487982
cyclohexylmethoxybenzene
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CID 163366927
CID 163366927
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
(4-ethylphenoxy)methylcycloheptane
CID 142027305
2-[4-[4-[4-(2-hydroxyethoxy)phenyl]cyclohex-3-en-1-yl]phenoxy]ethanol
CID 67512320
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
1-ethoxy-4-(4-methylcyclohex-3-en-1-yl)benzene
CID 18338636

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile?
The IUPAC name of 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile (CID 142043979) is 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile.
What is the SMILES notation for 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile?
The canonical SMILES for 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile is N#CC1=CCC(c2ccc(OCC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile?
The InChIKey is SADMRAPKNMQFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c21-14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22-15-17-4-2-1-3-5-17/h6,10-13,17-18H,1-5,7-9,15H2.
What are the key properties of 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile?
4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile has a molecular weight of 295.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethoxy)phenyl]cyclohexene-1-carbonitrile is sourced from PubChem (CID 142043979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).