4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile

C18H25NO — CID 18596975

IUPAC4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCCCCC1CCC(C#N)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25NO/c1-3-4-5-15-10-12-18(14-19,13-11-15)16-6-8-17(20-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyJRRICLXIXIBKJL-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.84
Rot. Bonds5

About 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile

4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile (PubChem CID 18596975) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
PubChem CID18596975
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCCCCC1CCC(C#N)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H25NO/c1-3-4-5-15-10-12-18(14-19,13-11-15)16-6-8-17(20-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyJRRICLXIXIBKJL-UHFFFAOYSA-N
XLogP4.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-pentoxyphenyl)-4-propylcyclohexane-1-carbonitrile
CID 18596982
4-butyl-1-(4-pentylphenyl)cyclohexane-1-carbonitrile
CID 18596983
1-(4-butylphenyl)-4-hexylcyclohexane-1-carbonitrile
CID 18596921
1-[4-(4-butylphenyl)phenyl]-4-heptylcyclohexane-1-carbonitrile
CID 18643132
4-propyl-1-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 18643171
1-(4-butylphenyl)-4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 18643232
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexane-1-carbonitrile
CID 18596707
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
cis-(1R,2S)-2-hexyl-1-[4-(4-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 15733998
1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
CID 163864644
4-(4-methoxyphenyl)-2,2-dimethyloxane-4-carbonitrile
CID 4025749

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile (CID 18596975) is 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile is CCCCC1CCC(C#N)(c2ccc(OC)cc2)CC1.
What is the InChIKey of 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile?
The InChIKey is JRRICLXIXIBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-5-15-10-12-18(14-19,13-11-15)16-6-8-17(20-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile?
4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile has a molecular weight of 271.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(4-methoxyphenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 18596975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).