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

C26H36 — CID 22420537

IUPAC1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
SMILESCCCCCCC1CCC(c2ccccc2C)(c2ccccc2C)CC1
InChIInChI=1S/C26H36/c1-4-5-6-7-14-23-17-19-26(20-18-23,24-15-10-8-12-21(24)2)25-16-11-9-13-22(25)3/h8-13,15-16,23H,4-7,14,17-20H2,1-3H3
InChIKeyOLCURMZSZDRZDG-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.75
Rot. Bonds7

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

1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene (PubChem CID 22420537) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
PubChem CID22420537
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene
SMILESCCCCCCC1CCC(c2ccccc2C)(c2ccccc2C)CC1
InChIInChI=1S/C26H36/c1-4-5-6-7-14-23-17-19-26(20-18-23,24-15-10-8-12-21(24)2)25-16-11-9-13-22(25)3/h8-13,15-16,23H,4-7,14,17-20H2,1-3H3
InChIKeyOLCURMZSZDRZDG-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-[1-(3-fluorophenyl)-4-heptylcyclohexyl]benzene
CID 22420527
4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
CID 57169431
2,3-dimethylphenol;octylcyclopentane
CID 145059039
4-[1-(4-aminophenyl)-4-[(4-hexylcyclohexyl)methyl]cyclohexyl]aniline
CID 22316010
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
tetradecane;undecylcyclopropane
CID 173215670
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
4-[4-[1-[4-(4-aminophenoxy)-3,5-dimethylphenyl]-4-dodecylcyclohexyl]-2,6-dimethylphenoxy]aniline
CID 19873658
(1-phenyl-4-propylcyclohexyl)benzene
CID 22919269
1-[4-ethyl-1-(2-propylphenyl)cyclohexyl]-2-propylbenzene
CID 22420606

Frequently Asked Questions

What is the IUPAC name of 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene?
The IUPAC name of 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene (CID 22420537) is 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene.
What is the SMILES notation for 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene?
The canonical SMILES for 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene is CCCCCCC1CCC(c2ccccc2C)(c2ccccc2C)CC1.
What is the InChIKey of 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene?
The InChIKey is OLCURMZSZDRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-4-5-6-7-14-23-17-19-26(20-18-23,24-15-10-8-12-21(24)2)25-16-11-9-13-22(25)3/h8-13,15-16,23H,4-7,14,17-20H2,1-3H3.
What are the key properties of 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene?
1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene has a molecular weight of 348.57 g/mol, XLogP of 7.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hexyl-1-(2-methylphenyl)cyclohexyl]-2-methylbenzene is sourced from PubChem (CID 22420537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).