1,3,5-trimethylbenzene

C9H12 — CID 7947

IUPAC1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1
InChIInChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKeyAUHZEENZYGFFBQ-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.61
Rot. Bonds

About 1,3,5-trimethylbenzene

1,3,5-trimethylbenzene (PubChem CID 7947) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1,3,5-trimethylbenzene
PubChem CID7947
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1
InChIInChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKeyAUHZEENZYGFFBQ-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

Analyze 1,3,5-trimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylbenzene?
The IUPAC name of 1,3,5-trimethylbenzene (CID 7947) is 1,3,5-trimethylbenzene.
What is the SMILES notation for 1,3,5-trimethylbenzene?
The canonical SMILES for 1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.
What is the InChIKey of 1,3,5-trimethylbenzene?
The InChIKey is AUHZEENZYGFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3.
What are the key properties of 1,3,5-trimethylbenzene?
1,3,5-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 1,3,5-trimethylbenzene is sourced from PubChem (CID 7947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).