4,6-Bis(chloromethyl)-m-xylene

C10H12Cl2 — CID 220296

IUPAC1,5-bis(chloromethyl)-2,4-dimethylbenzene
SMILESCC1=CC(=C(C=C1CCl)CCl)C
InChIInChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKeyJALHTPIEJQBDEN-UHFFFAOYSA-N
MW203.10 g/mol
LogP3.40
Rot. Bonds2

About 4,6-Bis(chloromethyl)-m-xylene

4,6-Bis(chloromethyl)-m-xylene (PubChem CID 220296) has the molecular formula C10H12Cl2 and a molecular weight of 203.10 g/mol. Its IUPAC name is 1,5-bis(chloromethyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name4,6-Bis(chloromethyl)-m-xylene
PubChem CID220296
Molecular FormulaC10H12Cl2
Molecular Weight203.10 g/mol
Exact Mass202.03
IUPAC Name1,5-bis(chloromethyl)-2,4-dimethylbenzene
SMILESCC1=CC(=C(C=C1CCl)CCl)C
InChIInChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKeyJALHTPIEJQBDEN-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity122

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,6-Bis(chloromethyl)-m-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

1,2,4-Trimethylbenzene
CID 7247
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
1,2-Dimethyl-4-ethylbenzene
CID 13629
Durene
CID 7269
alpha-Chloro-o-xylene
CID 11093
1,2-Bis(chloromethyl)benzene
CID 11919
alpha,alpha'-Dichloro-p-xylene
CID 12171
2,5-Dimethylstyrene
CID 16265
4-Methylbenzyl chloride
CID 7722
Benzene, 1,3-bis(chloromethyl)-
CID 12275
2-Ethyl-p-xylene
CID 15653

Frequently Asked Questions

What is the IUPAC name of 4,6-Bis(chloromethyl)-m-xylene?
The IUPAC name of 4,6-Bis(chloromethyl)-m-xylene (CID 220296) is 1,5-bis(chloromethyl)-2,4-dimethylbenzene.
What is the SMILES notation for 4,6-Bis(chloromethyl)-m-xylene?
The canonical SMILES for 4,6-Bis(chloromethyl)-m-xylene is CC1=CC(=C(C=C1CCl)CCl)C.
What is the InChIKey of 4,6-Bis(chloromethyl)-m-xylene?
The InChIKey is JALHTPIEJQBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6H2,1-2H3.
What are the key properties of 4,6-Bis(chloromethyl)-m-xylene?
4,6-Bis(chloromethyl)-m-xylene has a molecular weight of 203.10 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-Bis(chloromethyl)-m-xylene is sourced from PubChem (CID 220296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).