1,2,3,4-tetramethylbenzene;toluene;1,2-xylene

C32H40 — CID 173333088

IUPAC1,2,3,4-tetramethylbenzene;toluene;1,2-xylene
SMILESCc1ccc(C)c(C)c1C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C10H14.C8H10.2C7H8/c1-7-5-6-8(2)10(4)9(7)3;1-7-5-3-4-6-8(7)2;2*1-7-5-3-2-4-6-7/h5-6H,1-4H3;3-6H,1-2H3;2*2-6H,1H3
InChIKeyNMERYTDZUOHUNK-UHFFFAOYSA-N
MW424.67 g/mol
LogP9.21
Rot. Bonds

About 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene

1,2,3,4-tetramethylbenzene;toluene;1,2-xylene (PubChem CID 173333088) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene.

Molecular Properties

Compound Name1,2,3,4-tetramethylbenzene;toluene;1,2-xylene
PubChem CID173333088
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name1,2,3,4-tetramethylbenzene;toluene;1,2-xylene
SMILESCc1ccc(C)c(C)c1C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C10H14.C8H10.2C7H8/c1-7-5-6-8(2)10(4)9(7)3;1-7-5-3-4-6-8(7)2;2*1-7-5-3-2-4-6-7/h5-6H,1-4H3;3-6H,1-2H3;2*2-6H,1H3
InChIKeyNMERYTDZUOHUNK-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene 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

toluene;pentakis(1,2-xylene)
CID 173348315
toluene;bis(1,2-xylene)
CID 174594728
1,2,3,4-tetramethylbenzene;1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;tris(1,2,4-trimethylbenzene);1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 158819449
benzene;1,2-xylene
CID 161464493
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159639769
propan-2-ol;toluene;1,2-xylene
CID 175542650
benzene;ethane;methane;naphthalene;toluene;1,2-xylene
CID 174455493
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
iridium;toluene
CID 160574470

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene?
The IUPAC name of 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene (CID 173333088) is 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene.
What is the SMILES notation for 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene?
The canonical SMILES for 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene is Cc1ccc(C)c(C)c1C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1C.
What is the InChIKey of 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene?
The InChIKey is NMERYTDZUOHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H10.2C7H8/c1-7-5-6-8(2)10(4)9(7)3;1-7-5-3-4-6-8(7)2;2*1-7-5-3-2-4-6-7/h5-6H,1-4H3;3-6H,1-2H3;2*2-6H,1H3.
What are the key properties of 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene?
1,2,3,4-tetramethylbenzene;toluene;1,2-xylene has a molecular weight of 424.67 g/mol, XLogP of 9.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethylbenzene;toluene;1,2-xylene is sourced from PubChem (CID 173333088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).