1,2,4-triethylbenzene

C12H18 — CID 13415

IUPAC1,2,4-triethylbenzene
SMILESCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3
InChIKeyWNLWIOJSURYFIB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.37
Rot. Bonds3

About 1,2,4-triethylbenzene

1,2,4-triethylbenzene (PubChem CID 13415) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2,4-triethylbenzene.

Molecular Properties

Compound Name1,2,4-triethylbenzene
PubChem CID13415
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2,4-triethylbenzene
SMILESCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3
InChIKeyWNLWIOJSURYFIB-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
M-Xylene
CID 7929
P-Xylene
CID 7809
1-Methylnaphthalene
CID 7002
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triethylbenzene?
The IUPAC name of 1,2,4-triethylbenzene (CID 13415) is 1,2,4-triethylbenzene.
What is the SMILES notation for 1,2,4-triethylbenzene?
The canonical SMILES for 1,2,4-triethylbenzene is CCc1ccc(CC)c(CC)c1.
What is the InChIKey of 1,2,4-triethylbenzene?
The InChIKey is WNLWIOJSURYFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,2,4-triethylbenzene?
1,2,4-triethylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triethylbenzene is sourced from PubChem (CID 13415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).