2-ethyl-1,4-dimethylbenzene

C10H14 — CID 15653

IUPAC2-ethyl-1,4-dimethylbenzene
SMILESCCc1cc(C)ccc1C
InChIInChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKeyAXIUBBVSOWPLDA-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.87
Rot. Bonds1

About 2-ethyl-1,4-dimethylbenzene

2-ethyl-1,4-dimethylbenzene (PubChem CID 15653) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-ethyl-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-ethyl-1,4-dimethylbenzene
PubChem CID15653
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-ethyl-1,4-dimethylbenzene
SMILESCCc1cc(C)ccc1C
InChIInChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3
InChIKeyAXIUBBVSOWPLDA-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-dimethylbenzene?
The IUPAC name of 2-ethyl-1,4-dimethylbenzene (CID 15653) is 2-ethyl-1,4-dimethylbenzene.
What is the SMILES notation for 2-ethyl-1,4-dimethylbenzene?
The canonical SMILES for 2-ethyl-1,4-dimethylbenzene is CCc1cc(C)ccc1C.
What is the InChIKey of 2-ethyl-1,4-dimethylbenzene?
The InChIKey is AXIUBBVSOWPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-1,4-dimethylbenzene?
2-ethyl-1,4-dimethylbenzene has a molecular weight of 134.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-dimethylbenzene is sourced from PubChem (CID 15653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).