1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene

C28H38 — CID 21136661

IUPAC1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(C4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C28H38/c1-21-3-13-25(14-4-21)27-17-9-23(10-18-27)7-8-24-11-19-28(20-12-24)26-15-5-22(2)6-16-26/h3-4,9-10,13-14,17-18,22,24,26,28H,5-8,11-12,15-16,19-20H2,1-2H3
InChIKeyLUVMPKZLRGRWPL-UHFFFAOYSA-N
MW374.61 g/mol
LogP8.23
Rot. Bonds5

About 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene (PubChem CID 21136661) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
PubChem CID21136661
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Name1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCC3CCC(C4CCC(C)CC4)CC3)cc2)cc1
InChIInChI=1S/C28H38/c1-21-3-13-25(14-4-21)27-17-9-23(10-18-27)7-8-24-11-19-28(20-12-24)26-15-5-22(2)6-16-26/h3-4,9-10,13-14,17-18,22,24,26,28H,5-8,11-12,15-16,19-20H2,1-2H3
InChIKeyLUVMPKZLRGRWPL-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168
1,4-bis(4-methylcyclohexyl)benzene;1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene;1,2,3-trimethyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1,2,3-trimethyl-4-(4-methylphenyl)benzene
CID 159498675
1,3-dimethyl-5-[2-(4-methylcyclohexyl)ethyl]-2-[4-(4-methylphenyl)phenyl]benzene
CID 59931361
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
CID 143210127
(4-methylphenyl) 4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 59938822
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
CID 20632303
CID 20632303
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The IUPAC name of 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene (CID 21136661) is 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene is Cc1ccc(-c2ccc(CCC3CCC(C4CCC(C)CC4)CC3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
The InChIKey is LUVMPKZLRGRWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38/c1-21-3-13-25(14-4-21)27-17-9-23(10-18-27)7-8-24-11-19-28(20-12-24)26-15-5-22(2)6-16-26/h3-4,9-10,13-14,17-18,22,24,26,28H,5-8,11-12,15-16,19-20H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene?
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene has a molecular weight of 374.61 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene is sourced from PubChem (CID 21136661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).