2-ethyl-1-hexyl-4-methylbenzene

C15H24 — CID 155704456

IUPAC2-ethyl-1-hexyl-4-methylbenzene
SMILESCCCCCCc1ccc(C)cc1CC
InChIInChI=1S/C15H24/c1-4-6-7-8-9-15-11-10-13(3)12-14(15)5-2/h10-12H,4-9H2,1-3H3
InChIKeyFWEKIFZJBPSPFI-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.68
Rot. Bonds6

About 2-ethyl-1-hexyl-4-methylbenzene

2-ethyl-1-hexyl-4-methylbenzene (PubChem CID 155704456) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-ethyl-1-hexyl-4-methylbenzene.

Molecular Properties

Compound Name2-ethyl-1-hexyl-4-methylbenzene
PubChem CID155704456
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-ethyl-1-hexyl-4-methylbenzene
SMILESCCCCCCc1ccc(C)cc1CC
InChIInChI=1S/C15H24/c1-4-6-7-8-9-15-11-10-13(3)12-14(15)5-2/h10-12H,4-9H2,1-3H3
InChIKeyFWEKIFZJBPSPFI-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.68
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-ethyl-2-henicosylbenzene
CID 141174443
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
1,2-diethyl-4-methylbenzene;methane
CID 174446118
4-methyl-2-tetradecylbenzoic acid
CID 174671102
2-hexyl-4-methylbenzoic acid
CID 67543918
4-methyl-2-octadecylbenzenesulfonic acid
CID 54163879
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
1-(2-hexyl-4-methylphenyl)butane-1,3-dione
CID 163607931
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hexyl-4-methylbenzene?
The IUPAC name of 2-ethyl-1-hexyl-4-methylbenzene (CID 155704456) is 2-ethyl-1-hexyl-4-methylbenzene.
What is the SMILES notation for 2-ethyl-1-hexyl-4-methylbenzene?
The canonical SMILES for 2-ethyl-1-hexyl-4-methylbenzene is CCCCCCc1ccc(C)cc1CC.
What is the InChIKey of 2-ethyl-1-hexyl-4-methylbenzene?
The InChIKey is FWEKIFZJBPSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-6-7-8-9-15-11-10-13(3)12-14(15)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-hexyl-4-methylbenzene?
2-ethyl-1-hexyl-4-methylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hexyl-4-methylbenzene is sourced from PubChem (CID 155704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).