1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene

C26H28 — CID 59265320

IUPAC1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C3CCC(c4ccc(C)cc4)CC3)cc2)cc1
InChIInChI=1S/C26H28/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-12,15-16,24,26H,13-14,17-18H2,1-2H3
InChIKeySPUKJBQGSYGPFD-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.41
Rot. Bonds3

About 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene

1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene (PubChem CID 59265320) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
PubChem CID59265320
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(C3CCC(c4ccc(C)cc4)CC3)cc2)cc1
InChIInChI=1S/C26H28/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-12,15-16,24,26H,13-14,17-18H2,1-2H3
InChIKeySPUKJBQGSYGPFD-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene (CID 59265320) is 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene is Cc1ccc(-c2ccc(C3CCC(c4ccc(C)cc4)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene?
The InChIKey is SPUKJBQGSYGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-19-3-7-21(8-4-19)23-11-15-25(16-12-23)26-17-13-24(14-18-26)22-9-5-20(2)6-10-22/h3-12,15-16,24,26H,13-14,17-18H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene?
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene has a molecular weight of 340.51 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 59265320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).