4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene

C28H34 — CID 143490654

IUPAC4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene
SMILESCCc1ccc(CCCCCCc2ccc(-c3ccccc3C)c(C)c2)cc1
InChIInChI=1S/C28H34/c1-4-24-15-17-25(18-16-24)12-7-5-6-8-13-26-19-20-28(23(3)21-26)27-14-10-9-11-22(27)2/h9-11,14-21H,4-8,12-13H2,1-3H3
InChIKeyJEVUBZBKPMKCMP-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.88
Rot. Bonds9

About 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene

4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene (PubChem CID 143490654) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene.

Molecular Properties

Compound Name4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene
PubChem CID143490654
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene
SMILESCCc1ccc(CCCCCCc2ccc(-c3ccccc3C)c(C)c2)cc1
InChIInChI=1S/C28H34/c1-4-24-15-17-25(18-16-24)12-7-5-6-8-13-26-19-20-28(23(3)21-26)27-14-10-9-11-22(27)2/h9-11,14-21H,4-8,12-13H2,1-3H3
InChIKeyJEVUBZBKPMKCMP-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.88
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

2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
4-heptyl-2-methyl-1-(2-methylphenyl)benzene;1-methyl-3-prop-1-en-2-ylbenzene;propane;prop-1-ene
CID 143490711
1-ethyl-4-octacosylbenzene
CID 175218304
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476
1,2-dimethyl-4-octylbenzene
CID 14044616
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
[4-(4-ethylphenyl)-3-methylphenyl]methanamine
CID 66481033
2-(4-butyl-2-methylphenyl)furan
CID 168524679
2-octylanthracene-9,10-dione
CID 141254876
CID 58986761
CID 58986761
2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene?
The IUPAC name of 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene (CID 143490654) is 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene.
What is the SMILES notation for 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene?
The canonical SMILES for 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene is CCc1ccc(CCCCCCc2ccc(-c3ccccc3C)c(C)c2)cc1.
What is the InChIKey of 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene?
The InChIKey is JEVUBZBKPMKCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-4-24-15-17-25(18-16-24)12-7-5-6-8-13-26-19-20-28(23(3)21-26)27-14-10-9-11-22(27)2/h9-11,14-21H,4-8,12-13H2,1-3H3.
What are the key properties of 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene?
4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene has a molecular weight of 370.58 g/mol, XLogP of 7.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-ethylphenyl)hexyl]-2-methyl-1-(2-methylphenyl)benzene is sourced from PubChem (CID 143490654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).