[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene

C54H76O2 — CID 159874252

IUPAC[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2)ccc1C1CCC(C)CC1
InChIInChI=1S/C27H40O2.C27H36/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-19-4-8-22(9-5-19)23-12-14-24(15-13-23)26-16-17-27(21(3)18-26)25-10-6-20(2)7-11-25/h15-23,25H,3-14H2,1-2H3;12-20,22,25H,4-11H2,1-3H3
InChIKeyNSRUXXAXKOBRBR-UHFFFAOYSA-N
MW757.20 g/mol
LogP15.77
Rot. Bonds7

About [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene

[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 159874252) has the molecular formula C54H76O2 and a molecular weight of 757.20 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID159874252
Molecular FormulaC54H76O2
Molecular Weight757.20 g/mol
Exact Mass756.58
IUPAC Name[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2)ccc1C1CCC(C)CC1
InChIInChI=1S/C27H40O2.C27H36/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-19-4-8-22(9-5-19)23-12-14-24(15-13-23)26-16-17-27(21(3)18-26)25-10-6-20(2)7-11-25/h15-23,25H,3-14H2,1-2H3;12-20,22,25H,4-11H2,1-3H3
InChIKeyNSRUXXAXKOBRBR-UHFFFAOYSA-N
XLogP15.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.20
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336
[4-(3,4-dimethylphenyl)phenyl] 4-methylcyclohexane-1-carboxylate
CID 23516334
bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162206259
1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;methyl 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 159746470
[4-(4-methylcyclohexyl)phenyl] 4-prop-2-enylcyclohexane-1-carboxylate
CID 59499026
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
[4-(4-methylcyclohexyl)phenyl] 4-butylcyclohexane-1-carboxylate
CID 23334749
[4-(4-methylphenyl)phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 54254635
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 160899076
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene (CID 159874252) is [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene is CC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2)ccc1C1CCC(C)CC1.
What is the InChIKey of [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is NSRUXXAXKOBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2.C27H36/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-19-4-8-22(9-5-19)23-12-14-24(15-13-23)26-16-17-27(21(3)18-26)25-10-6-20(2)7-11-25/h15-23,25H,3-14H2,1-2H3;12-20,22,25H,4-11H2,1-3H3.
What are the key properties of [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 757.20 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 159874252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).