4-ethyl-1,2-dimethylbenzene;1,4-xylene

C18H24 — CID 142969887

IUPAC4-ethyl-1,2-dimethylbenzene;1,4-xylene
SMILESCCc1ccc(C)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C10H14.C8H10/c1-4-10-6-5-8(2)9(3)7-10;1-7-3-5-8(2)6-4-7/h5-7H,4H2,1-3H3;3-6H,1-2H3
InChIKeyMXZGJTQBRRMTFZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.17
Rot. Bonds1

About 4-ethyl-1,2-dimethylbenzene;1,4-xylene

4-ethyl-1,2-dimethylbenzene;1,4-xylene (PubChem CID 142969887) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethylbenzene;1,4-xylene.

Molecular Properties

Compound Name4-ethyl-1,2-dimethylbenzene;1,4-xylene
PubChem CID142969887
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name4-ethyl-1,2-dimethylbenzene;1,4-xylene
SMILESCCc1ccc(C)c(C)c1.Cc1ccc(C)cc1
InChIInChI=1S/C10H14.C8H10/c1-4-10-6-5-8(2)9(3)7-10;1-7-3-5-8(2)6-4-7/h5-7H,4H2,1-3H3;3-6H,1-2H3
InChIKeyMXZGJTQBRRMTFZ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethylbenzene;1,4-xylene?
The IUPAC name of 4-ethyl-1,2-dimethylbenzene;1,4-xylene (CID 142969887) is 4-ethyl-1,2-dimethylbenzene;1,4-xylene.
What is the SMILES notation for 4-ethyl-1,2-dimethylbenzene;1,4-xylene?
The canonical SMILES for 4-ethyl-1,2-dimethylbenzene;1,4-xylene is CCc1ccc(C)c(C)c1.Cc1ccc(C)cc1.
What is the InChIKey of 4-ethyl-1,2-dimethylbenzene;1,4-xylene?
The InChIKey is MXZGJTQBRRMTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H10/c1-4-10-6-5-8(2)9(3)7-10;1-7-3-5-8(2)6-4-7/h5-7H,4H2,1-3H3;3-6H,1-2H3.
What are the key properties of 4-ethyl-1,2-dimethylbenzene;1,4-xylene?
4-ethyl-1,2-dimethylbenzene;1,4-xylene has a molecular weight of 240.39 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethylbenzene;1,4-xylene is sourced from PubChem (CID 142969887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).