4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile

C166H237N5O4 — CID 173408417

IUPAC4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile
SMILESCCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCCC)cc3)cc2)CC1.CCCCCCCCCc1ccc(-c2ccc(C3CCC(C#N)(CCCCCCCC)CC3)cc2)cc1
InChIInChI=1S/C36H53N.C34H49NO.C33H47NO.C32H45NO.C31H43NO/c1-3-5-7-9-11-12-14-16-31-17-19-32(20-18-31)33-21-23-34(24-22-33)35-25-28-36(30-37,29-26-35)27-15-13-10-8-6-4-2;1-3-5-7-9-10-12-24-34(28-35)25-22-32(23-26-34)30-16-14-29(15-17-30)31-18-20-33(21-19-31)36-27-13-11-8-6-4-2;1-3-5-7-9-10-11-23-33(27-34)24-21-31(22-25-33)29-15-13-28(14-16-29)30-17-19-32(20-18-30)35-26-12-8-6-4-2;1-3-5-7-8-9-10-22-32(26-33)23-20-30(21-24-32)28-14-12-27(13-15-28)29-16-18-31(19-17-29)34-25-11-6-4-2;1-3-5-7-8-9-10-21-31(25-32)22-19-29(20-23-31)27-13-11-26(12-14-27)28-15-17-30(18-16-28)33-24-6-4-2/h17-24,35H,3-16,25-29H2,1-2H3;14-21,32H,3-13,22-27H2,1-2H3;13-20,31H,3-12,21-26H2,1-2H3;12-19,30H,3-11,20-25H2,1-2H3;11-18,29H,3-10,19-24H2,1-2H3
InChIKeyFQNWKOLZSRKGHC-UHFFFAOYSA-N
MW2366.75 g/mol
LogP51.71
Rot. Bonds75

About 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile

4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile (PubChem CID 173408417) has the molecular formula C166H237N5O4 and a molecular weight of 2366.75 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile
PubChem CID173408417
Molecular FormulaC166H237N5O4
Molecular Weight2366.75 g/mol
Exact Mass2364.85
IUPAC Name4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile
SMILESCCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCCC)cc3)cc2)CC1.CCCCCCCCCc1ccc(-c2ccc(C3CCC(C#N)(CCCCCCCC)CC3)cc2)cc1
InChIInChI=1S/C36H53N.C34H49NO.C33H47NO.C32H45NO.C31H43NO/c1-3-5-7-9-11-12-14-16-31-17-19-32(20-18-31)33-21-23-34(24-22-33)35-25-28-36(30-37,29-26-35)27-15-13-10-8-6-4-2;1-3-5-7-9-10-12-24-34(28-35)25-22-32(23-26-34)30-16-14-29(15-17-30)31-18-20-33(21-19-31)36-27-13-11-8-6-4-2;1-3-5-7-9-10-11-23-33(27-34)24-21-31(22-25-33)29-15-13-28(14-16-29)30-17-19-32(20-18-30)35-26-12-8-6-4-2;1-3-5-7-8-9-10-22-32(26-33)23-20-30(21-24-32)28-14-12-27(13-15-28)29-16-18-31(19-17-29)34-25-11-6-4-2;1-3-5-7-8-9-10-21-31(25-32)22-19-29(20-23-31)27-13-11-26(12-14-27)28-15-17-30(18-16-28)33-24-6-4-2/h17-24,35H,3-16,25-29H2,1-2H3;14-21,32H,3-13,22-27H2,1-2H3;13-20,31H,3-12,21-26H2,1-2H3;12-19,30H,3-11,20-25H2,1-2H3;11-18,29H,3-10,19-24H2,1-2H3
InChIKeyFQNWKOLZSRKGHC-UHFFFAOYSA-N
XLogP51.71
TPSA155.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds75
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002366.75
LogP ≤ 551.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile
CID 18636156
4-heptyl-1-[2-[4-(4-octoxyphenyl)phenyl]ethyl]cyclohexane-1-carbonitrile
CID 19979853
1-decyl-4-[4-(5-hexylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile
CID 18644636
1-nonyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile
CID 18644688
1-(3,7-dimethyloctyl)-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile
CID 139882361
2-[4-[4-(4-cyano-4-octylcyclohexyl)phenyl]phenoxy]ethyl 2-chloro-3-methylbutanoate
CID 139882457
4-[4-(4-heptylphenyl)phenyl]-1-(2-methylbutyl)cyclohexane-1-carbonitrile
CID 19103364
1-(2-methylbutyl)-4-(4-octoxyphenyl)cyclohexane-1-carbonitrile
CID 19980001
4-[4-[4-[(2R,3R)-2,3-difluorooctoxy]phenyl]phenyl]-1-heptylcyclohexane-1-carbonitrile
CID 142023839
4-[4-(3,7-dimethyloctoxy)phenyl]-1-octylcyclohexane-1-carbonitrile
CID 139882493
1-[2-(4-octylcyclohexyl)ethyl]-4-(4-octylphenyl)cyclohexane-1-carbonitrile
CID 18636119
(4-cyano-4-heptylcyclohexyl) 4-(4-nonoxyphenyl)benzoate
CID 19979975

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile (CID 173408417) is 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile is CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCC)cc3)cc2)CC1.CCCCCCCCC1(C#N)CCC(c2ccc(-c3ccc(OCCCCCCC)cc3)cc2)CC1.CCCCCCCCCc1ccc(-c2ccc(C3CCC(C#N)(CCCCCCCC)CC3)cc2)cc1.
What is the InChIKey of 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile?
The InChIKey is FQNWKOLZSRKGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53N.C34H49NO.C33H47NO.C32H45NO.C31H43NO/c1-3-5-7-9-11-12-14-16-31-17-19-32(20-18-31)33-21-23-34(24-22-33)35-25-28-36(30-37,29-26-35)27-15-13-10-8-6-4-2;1-3-5-7-9-10-12-24-34(28-35)25-22-32(23-26-34)30-16-14-29(15-17-30)31-18-20-33(21-19-31)36-27-13-11-8-6-4-2;1-3-5-7-9-10-11-23-33(27-34)24-21-31(22-25-33)29-15-13-28(14-16-29)30-17-19-32(20-18-30)35-26-12-8-6-4-2;1-3-5-7-8-9-10-22-32(26-33)23-20-30(21-24-32)28-14-12-27(13-15-28)29-16-18-31(19-17-29)34-25-11-6-4-2;1-3-5-7-8-9-10-21-31(25-32)22-19-29(20-23-31)27-13-11-26(12-14-27)28-15-17-30(18-16-28)33-24-6-4-2/h17-24,35H,3-16,25-29H2,1-2H3;14-21,32H,3-13,22-27H2,1-2H3;13-20,31H,3-12,21-26H2,1-2H3;12-19,30H,3-11,20-25H2,1-2H3;11-18,29H,3-10,19-24H2,1-2H3.
What are the key properties of 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile?
4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile has a molecular weight of 2366.75 g/mol, XLogP of 51.71, 75 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 173408417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).