1,2,3-trimethylbenzene

C9H12 — CID 10686

IUPAC1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKeyFYGHSUNMUKGBRK-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.61
Rot. Bonds

About 1,2,3-trimethylbenzene

1,2,3-trimethylbenzene (PubChem CID 10686) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,2,3-trimethylbenzene
PubChem CID10686
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKeyFYGHSUNMUKGBRK-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

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
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethylbenzene?
The IUPAC name of 1,2,3-trimethylbenzene (CID 10686) is 1,2,3-trimethylbenzene.
What is the SMILES notation for 1,2,3-trimethylbenzene?
The canonical SMILES for 1,2,3-trimethylbenzene is Cc1cccc(C)c1C.
What is the InChIKey of 1,2,3-trimethylbenzene?
The InChIKey is FYGHSUNMUKGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3.
What are the key properties of 1,2,3-trimethylbenzene?
1,2,3-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 1,2,3-trimethylbenzene is sourced from PubChem (CID 10686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).