1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene

C47H68O2 — CID 144714458

IUPAC1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C24H32O.C23H36O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24-2)17-15-22/h11-20H,3-10H2,1-2H3;14-21H,3-13H2,1-2H3
InChIKeyCZHCYLFJIJQPMG-UHFFFAOYSA-N
MW665.06 g/mol
LogP14.18
Rot. Bonds13

About 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene

1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 144714458) has the molecular formula C47H68O2 and a molecular weight of 665.06 g/mol. Its IUPAC name is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID144714458
Molecular FormulaC47H68O2
Molecular Weight665.06 g/mol
Exact Mass664.52
IUPAC Name1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C24H32O.C23H36O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24-2)17-15-22/h11-20H,3-10H2,1-2H3;14-21H,3-13H2,1-2H3
InChIKeyCZHCYLFJIJQPMG-UHFFFAOYSA-N
XLogP14.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.06
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

1-methoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539339
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
2-hexyl-6-[4-(4-methoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383694
2-butyl-6-[4-(4-methoxyphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383120
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
2-hexyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384918
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 144714458) is 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCC1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is CZHCYLFJIJQPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O.C23H36O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25-2)18-16-23;1-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24-2)17-15-22/h11-20H,3-10H2,1-2H3;14-21H,3-13H2,1-2H3.
What are the key properties of 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 665.06 g/mol, XLogP of 14.18, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 144714458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).