1,4-dichlorobenzene

C6H4Cl2 — CID 4685

IUPAC1,4-dichlorobenzene
SMILESClc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKeyOCJBOOLMMGQPQU-UHFFFAOYSA-N
MW147.00 g/mol
LogP2.99
Rot. Bonds

About 1,4-dichlorobenzene

1,4-dichlorobenzene (PubChem CID 4685) has the molecular formula C6H4Cl2 and a molecular weight of 147.00 g/mol. Its IUPAC name is 1,4-dichlorobenzene.

Molecular Properties

Compound Name1,4-dichlorobenzene
PubChem CID4685
Molecular FormulaC6H4Cl2
Molecular Weight147.00 g/mol
Exact Mass145.97
IUPAC Name1,4-dichlorobenzene
SMILESClc1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKeyOCJBOOLMMGQPQU-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.00
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Dichlorobenzene
CID 7239
Chlorobenzene
CID 7964
1,3,5-Trichlorobenzene
CID 7950
1,2,4-Trichlorobenzene
CID 13
1,2,3-Trichlorobenzene
CID 6895
1,3-Dichlorobenzene
CID 10943
1,2,3,5-Tetrachlorobenzene
CID 12468
1,2,3,4-Tetrachlorobenzene
CID 12463
4-Chlorophenylboronic acid
CID 74299
1-Chloro-2-fluorobenzene
CID 9583
1,2-Dichlorobenzene-D4
CID 519913
1,4-Dichlorobenzene-d4
CID 123202

Frequently Asked Questions

What is the IUPAC name of 1,4-dichlorobenzene?
The IUPAC name of 1,4-dichlorobenzene (CID 4685) is 1,4-dichlorobenzene.
What is the SMILES notation for 1,4-dichlorobenzene?
The canonical SMILES for 1,4-dichlorobenzene is Clc1ccc(Cl)cc1.
What is the InChIKey of 1,4-dichlorobenzene?
The InChIKey is OCJBOOLMMGQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H.
What are the key properties of 1,4-dichlorobenzene?
1,4-dichlorobenzene has a molecular weight of 147.00 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorobenzene is sourced from PubChem (CID 4685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).