1,3-dichloro-5-(dichloromethyl)benzene

C7H4Cl4 — CID 19898502

IUPAC1,3-dichloro-5-(dichloromethyl)benzene
SMILESClc1cc(Cl)cc(C(Cl)Cl)c1
InChIInChI=1S/C7H4Cl4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
InChIKeyYARYAWIHMVXQQY-UHFFFAOYSA-N
MW229.92 g/mol
LogP4.47
Rot. Bonds1

About 1,3-dichloro-5-(dichloromethyl)benzene

1,3-dichloro-5-(dichloromethyl)benzene (PubChem CID 19898502) has the molecular formula C7H4Cl4 and a molecular weight of 229.92 g/mol. Its IUPAC name is 1,3-dichloro-5-(dichloromethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(dichloromethyl)benzene
PubChem CID19898502
Molecular FormulaC7H4Cl4
Molecular Weight229.92 g/mol
Exact Mass227.91
IUPAC Name1,3-dichloro-5-(dichloromethyl)benzene
SMILESClc1cc(Cl)cc(C(Cl)Cl)c1
InChIInChI=1S/C7H4Cl4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
InChIKeyYARYAWIHMVXQQY-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-5-(dichloromethyl)benzene 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

methane;tris(1,3,5-trichlorobenzene)
CID 175444750
sulfane;1,3,5-trichlorobenzene
CID 174951805
1,3-dichloro-5-(3-methylbutan-2-yl)benzene
CID 59591228
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578
1-[chloro-(3,5-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304052
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230
(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247214
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
(1S)-1-(3,5-dichlorophenyl)-2-fluoroethanamine
CID 124707721
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(dichloromethyl)benzene?
The IUPAC name of 1,3-dichloro-5-(dichloromethyl)benzene (CID 19898502) is 1,3-dichloro-5-(dichloromethyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(dichloromethyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(dichloromethyl)benzene is Clc1cc(Cl)cc(C(Cl)Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(dichloromethyl)benzene?
The InChIKey is YARYAWIHMVXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H.
What are the key properties of 1,3-dichloro-5-(dichloromethyl)benzene?
1,3-dichloro-5-(dichloromethyl)benzene has a molecular weight of 229.92 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(dichloromethyl)benzene is sourced from PubChem (CID 19898502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).