1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene

C22H28 — CID 20741049

IUPAC1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene
SMILESCCC1(c2ccc(C)cc2)CCCCC1c1ccc(C)cc1
InChIInChI=1S/C22H28/c1-4-22(20-14-10-18(3)11-15-20)16-6-5-7-21(22)19-12-8-17(2)9-13-19/h8-15,21H,4-7,16H2,1-3H3
InChIKeyYKKBIVCSHDSCLI-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.31
Rot. Bonds3

About 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene

1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene (PubChem CID 20741049) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene
PubChem CID20741049
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene
SMILESCCC1(c2ccc(C)cc2)CCCCC1c1ccc(C)cc1
InChIInChI=1S/C22H28/c1-4-22(20-14-10-18(3)11-15-20)16-6-5-7-21(22)19-12-8-17(2)9-13-19/h8-15,21H,4-7,16H2,1-3H3
InChIKeyYKKBIVCSHDSCLI-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene?
The IUPAC name of 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene (CID 20741049) is 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene?
The canonical SMILES for 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene is CCC1(c2ccc(C)cc2)CCCCC1c1ccc(C)cc1.
What is the InChIKey of 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene?
The InChIKey is YKKBIVCSHDSCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-4-22(20-14-10-18(3)11-15-20)16-6-5-7-21(22)19-12-8-17(2)9-13-19/h8-15,21H,4-7,16H2,1-3H3.
What are the key properties of 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene?
1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene has a molecular weight of 292.47 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-2-(4-methylphenyl)cyclohexyl]-4-methylbenzene is sourced from PubChem (CID 20741049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).