2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene

C18H12Cl4 — CID 173450499

IUPAC2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene
SMILESClC1=C(c2ccccc2Cl)CC(Cl)(c2ccccc2Cl)C=C1
InChIInChI=1S/C18H12Cl4/c19-15-7-3-1-5-12(15)13-11-18(22,10-9-16(13)20)14-6-2-4-8-17(14)21/h1-10H,11H2
InChIKeyNVXUWEFRSIJNME-UHFFFAOYSA-N
MW370.11 g/mol
LogP7.04
Rot. Bonds2

About 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene

2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene (PubChem CID 173450499) has the molecular formula C18H12Cl4 and a molecular weight of 370.11 g/mol. Its IUPAC name is 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene
PubChem CID173450499
Molecular FormulaC18H12Cl4
Molecular Weight370.11 g/mol
Exact Mass367.97
IUPAC Name2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene
SMILESClC1=C(c2ccccc2Cl)CC(Cl)(c2ccccc2Cl)C=C1
InChIInChI=1S/C18H12Cl4/c19-15-7-3-1-5-12(15)13-11-18(22,10-9-16(13)20)14-6-2-4-8-17(14)21/h1-10H,11H2
InChIKeyNVXUWEFRSIJNME-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.11
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene?
The IUPAC name of 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene (CID 173450499) is 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene is ClC1=C(c2ccccc2Cl)CC(Cl)(c2ccccc2Cl)C=C1.
What is the InChIKey of 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene?
The InChIKey is NVXUWEFRSIJNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4/c19-15-7-3-1-5-12(15)13-11-18(22,10-9-16(13)20)14-6-2-4-8-17(14)21/h1-10H,11H2.
What are the key properties of 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene?
2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene has a molecular weight of 370.11 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1,5-bis(2-chlorophenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 173450499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).