1-cyclohexyl-4-methylbenzene;toluene

C20H26 — CID 143243711

IUPAC1-cyclohexyl-4-methylbenzene;toluene
SMILESCc1ccc(C2CCCCC2)cc1.Cc1ccccc1
InChIInChI=1S/C13H18.C7H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h7-10,12H,2-6H2,1H3;2-6H,1H3
InChIKeyREVRLHSBJGVNMR-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.04
Rot. Bonds1

About 1-cyclohexyl-4-methylbenzene;toluene

1-cyclohexyl-4-methylbenzene;toluene (PubChem CID 143243711) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylbenzene;toluene.

Molecular Properties

Compound Name1-cyclohexyl-4-methylbenzene;toluene
PubChem CID143243711
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-cyclohexyl-4-methylbenzene;toluene
SMILESCc1ccc(C2CCCCC2)cc1.Cc1ccccc1
InChIInChI=1S/C13H18.C7H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h7-10,12H,2-6H2,1H3;2-6H,1H3
InChIKeyREVRLHSBJGVNMR-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
CID 159076923
CID 159076923
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
cyclopentylbenzene;iron
CID 158512704
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
acetonitrile;cyclohexylbenzene
CID 141289539
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylbenzene;toluene?
The IUPAC name of 1-cyclohexyl-4-methylbenzene;toluene (CID 143243711) is 1-cyclohexyl-4-methylbenzene;toluene.
What is the SMILES notation for 1-cyclohexyl-4-methylbenzene;toluene?
The canonical SMILES for 1-cyclohexyl-4-methylbenzene;toluene is Cc1ccc(C2CCCCC2)cc1.Cc1ccccc1.
What is the InChIKey of 1-cyclohexyl-4-methylbenzene;toluene?
The InChIKey is REVRLHSBJGVNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C7H8/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-7-5-3-2-4-6-7/h7-10,12H,2-6H2,1H3;2-6H,1H3.
What are the key properties of 1-cyclohexyl-4-methylbenzene;toluene?
1-cyclohexyl-4-methylbenzene;toluene has a molecular weight of 266.43 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylbenzene;toluene is sourced from PubChem (CID 143243711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).