benzene;tetrachloromethane;toluene

C14H14Cl4 — CID 172748154

IUPACbenzene;tetrachloromethane;toluene
SMILESCc1ccccc1.ClC(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C7H8.C6H6.CCl4/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2-1(3,4)5/h2-6H,1H3;1-6H;
InChIKeyJZTCXOKVORJMCD-UHFFFAOYSA-N
MW324.08 g/mol
LogP6.23
Rot. Bonds

About benzene;tetrachloromethane;toluene

benzene;tetrachloromethane;toluene (PubChem CID 172748154) has the molecular formula C14H14Cl4 and a molecular weight of 324.08 g/mol. Its IUPAC name is benzene;tetrachloromethane;toluene.

Molecular Properties

Compound Namebenzene;tetrachloromethane;toluene
PubChem CID172748154
Molecular FormulaC14H14Cl4
Molecular Weight324.08 g/mol
Exact Mass321.98
IUPAC Namebenzene;tetrachloromethane;toluene
SMILESCc1ccccc1.ClC(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C7H8.C6H6.CCl4/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2-1(3,4)5/h2-6H,1H3;1-6H;
InChIKeyJZTCXOKVORJMCD-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.08
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze benzene;tetrachloromethane;toluene 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

chloromethane;toluene
CID 178022822
2-chloro-2-methylpropane;toluene
CID 67707971
chloromethane;toluene;dihydrochloride
CID 174689155
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
toluene;dihydrochloride
CID 66712893
gold;toluene
CID 159315944
bismuthane;toluene
CID 173370039
aluminum toluene
CID 21283935
ethane;toluene
CID 91350799
toluene;hydrate
CID 22272177

Frequently Asked Questions

What is the IUPAC name of benzene;tetrachloromethane;toluene?
The IUPAC name of benzene;tetrachloromethane;toluene (CID 172748154) is benzene;tetrachloromethane;toluene.
What is the SMILES notation for benzene;tetrachloromethane;toluene?
The canonical SMILES for benzene;tetrachloromethane;toluene is Cc1ccccc1.ClC(Cl)(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;tetrachloromethane;toluene?
The InChIKey is JZTCXOKVORJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H6.CCl4/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2-1(3,4)5/h2-6H,1H3;1-6H;.
What are the key properties of benzene;tetrachloromethane;toluene?
benzene;tetrachloromethane;toluene has a molecular weight of 324.08 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetrachloromethane;toluene is sourced from PubChem (CID 172748154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).