1,2,4-trimethylbenzene

C9H12 — CID 7247

IUPAC1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1
InChIInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKeyGWHJZXXIDMPWGX-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.61
Rot. Bonds

About 1,2,4-trimethylbenzene

1,2,4-trimethylbenzene (PubChem CID 7247) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,2,4-trimethylbenzene.

Molecular Properties

Compound Name1,2,4-trimethylbenzene
PubChem CID7247
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1
InChIInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKeyGWHJZXXIDMPWGX-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
methyl formate;1,2,4-trimethylbenzene
CID 143881724
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylbenzene?
The IUPAC name of 1,2,4-trimethylbenzene (CID 7247) is 1,2,4-trimethylbenzene.
What is the SMILES notation for 1,2,4-trimethylbenzene?
The canonical SMILES for 1,2,4-trimethylbenzene is Cc1ccc(C)c(C)c1.
What is the InChIKey of 1,2,4-trimethylbenzene?
The InChIKey is GWHJZXXIDMPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3.
What are the key properties of 1,2,4-trimethylbenzene?
1,2,4-trimethylbenzene has a molecular weight of 120.19 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylbenzene is sourced from PubChem (CID 7247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).