benzene;1,2,3-trimethylbenzene

C15H18 — CID 159605245

IUPACbenzene;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.c1ccccc1
InChIInChI=1S/C9H12.C6H6/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1/h4-6H,1-3H3;1-6H
InChIKeyMLZOFFXALZERNC-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.30
Rot. Bonds

About benzene;1,2,3-trimethylbenzene

benzene;1,2,3-trimethylbenzene (PubChem CID 159605245) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is benzene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Namebenzene;1,2,3-trimethylbenzene
PubChem CID159605245
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namebenzene;1,2,3-trimethylbenzene
SMILESCc1cccc(C)c1C.c1ccccc1
InChIInChI=1S/C9H12.C6H6/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1/h4-6H,1-3H3;1-6H
InChIKeyMLZOFFXALZERNC-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
dichlororuthenium;1,2,3-trimethylbenzene
CID 87163409
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
pyridine;1,2,3-trimethylbenzene;hydrochloride
CID 174567082
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
hexane;1,2,3-trimethylbenzene
CID 159405289
benzene;1,2-xylene
CID 161464493
2,3-dimethyl-N-phenylaniline
CID 14952469

Frequently Asked Questions

What is the IUPAC name of benzene;1,2,3-trimethylbenzene?
The IUPAC name of benzene;1,2,3-trimethylbenzene (CID 159605245) is benzene;1,2,3-trimethylbenzene.
What is the SMILES notation for benzene;1,2,3-trimethylbenzene?
The canonical SMILES for benzene;1,2,3-trimethylbenzene is Cc1cccc(C)c1C.c1ccccc1.
What is the InChIKey of benzene;1,2,3-trimethylbenzene?
The InChIKey is MLZOFFXALZERNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H6/c1-7-5-4-6-8(2)9(7)3;1-2-4-6-5-3-1/h4-6H,1-3H3;1-6H.
What are the key properties of benzene;1,2,3-trimethylbenzene?
benzene;1,2,3-trimethylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2,3-trimethylbenzene is sourced from PubChem (CID 159605245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).