methane;1,2,3-trimethylbenzene;1,2-xylene

C18H26 — CID 157250417

IUPACmethane;1,2,3-trimethylbenzene;1,2-xylene
SMILESC.Cc1cccc(C)c1C.Cc1ccccc1C
InChIInChI=1S/C9H12.C8H10.CH4/c1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;/h4-6H,1-3H3;3-6H,1-2H3;1H4
InChIKeyAWGTTXZEGXYZGX-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.55
Rot. Bonds

About methane;1,2,3-trimethylbenzene;1,2-xylene

methane;1,2,3-trimethylbenzene;1,2-xylene (PubChem CID 157250417) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is methane;1,2,3-trimethylbenzene;1,2-xylene.

Molecular Properties

Compound Namemethane;1,2,3-trimethylbenzene;1,2-xylene
PubChem CID157250417
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Namemethane;1,2,3-trimethylbenzene;1,2-xylene
SMILESC.Cc1cccc(C)c1C.Cc1ccccc1C
InChIInChI=1S/C9H12.C8H10.CH4/c1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;/h4-6H,1-3H3;3-6H,1-2H3;1H4
InChIKeyAWGTTXZEGXYZGX-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;1,2,3-trimethylbenzene;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

benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
ethane;methane;pentakis(1,2-xylene)
CID 158909718
1,2-xylene
CID 173422016
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
azane;1,2-xylene
CID 174280305

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3-trimethylbenzene;1,2-xylene?
The IUPAC name of methane;1,2,3-trimethylbenzene;1,2-xylene (CID 157250417) is methane;1,2,3-trimethylbenzene;1,2-xylene.
What is the SMILES notation for methane;1,2,3-trimethylbenzene;1,2-xylene?
The canonical SMILES for methane;1,2,3-trimethylbenzene;1,2-xylene is C.Cc1cccc(C)c1C.Cc1ccccc1C.
What is the InChIKey of methane;1,2,3-trimethylbenzene;1,2-xylene?
The InChIKey is AWGTTXZEGXYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H10.CH4/c1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;/h4-6H,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of methane;1,2,3-trimethylbenzene;1,2-xylene?
methane;1,2,3-trimethylbenzene;1,2-xylene has a molecular weight of 242.41 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3-trimethylbenzene;1,2-xylene is sourced from PubChem (CID 157250417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).