1-ethyl-2,4,5-trimethylbenzene

C11H16 — CID 28812

IUPAC1-ethyl-2,4,5-trimethylbenzene
SMILESCCc1cc(C)c(C)cc1C
InChIInChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
InChIKeyIYFUQKGDILUVJG-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.17
Rot. Bonds1

About 1-ethyl-2,4,5-trimethylbenzene

1-ethyl-2,4,5-trimethylbenzene (PubChem CID 28812) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-ethyl-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-ethyl-2,4,5-trimethylbenzene
PubChem CID28812
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-ethyl-2,4,5-trimethylbenzene
SMILESCCc1cc(C)c(C)cc1C
InChIInChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
InChIKeyIYFUQKGDILUVJG-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,5-trimethylbenzene?
The IUPAC name of 1-ethyl-2,4,5-trimethylbenzene (CID 28812) is 1-ethyl-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-ethyl-2,4,5-trimethylbenzene?
The canonical SMILES for 1-ethyl-2,4,5-trimethylbenzene is CCc1cc(C)c(C)cc1C.
What is the InChIKey of 1-ethyl-2,4,5-trimethylbenzene?
The InChIKey is IYFUQKGDILUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-5-11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,4,5-trimethylbenzene?
1-ethyl-2,4,5-trimethylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,5-trimethylbenzene is sourced from PubChem (CID 28812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).