1-ethyl-2,4-dimethylbenzene

C10H14 — CID 13403

IUPAC1-ethyl-2,4-dimethylbenzene
SMILESCCc1ccc(C)cc1C
InChIInChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyMEMBJMDZWKVOTB-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.87
Rot. Bonds1

About 1-ethyl-2,4-dimethylbenzene

1-ethyl-2,4-dimethylbenzene (PubChem CID 13403) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-ethyl-2,4-dimethylbenzene
PubChem CID13403
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-ethyl-2,4-dimethylbenzene
SMILESCCc1ccc(C)cc1C
InChIInChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyMEMBJMDZWKVOTB-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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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-ethyl-2,4-dimethylbenzene?
The IUPAC name of 1-ethyl-2,4-dimethylbenzene (CID 13403) is 1-ethyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-ethyl-2,4-dimethylbenzene?
The canonical SMILES for 1-ethyl-2,4-dimethylbenzene is CCc1ccc(C)cc1C.
What is the InChIKey of 1-ethyl-2,4-dimethylbenzene?
The InChIKey is MEMBJMDZWKVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,4-dimethylbenzene?
1-ethyl-2,4-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 1-ethyl-2,4-dimethylbenzene is sourced from PubChem (CID 13403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).