1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene

C16H10Cl4 — CID 139839744

IUPAC1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene
SMILESC=Cc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1C=C
InChIInChI=1S/C16H10Cl4/c1-3-9-7-5-6-8-11(9)12-10(4-2)13(17)15(19)16(20)14(12)18/h3-8H,1-2H2
InChIKeyXVPVRUDNYRKVKJ-UHFFFAOYSA-N
MW344.07 g/mol
LogP7.25
Rot. Bonds3

About 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene

1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene (PubChem CID 139839744) has the molecular formula C16H10Cl4 and a molecular weight of 344.07 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene
PubChem CID139839744
Molecular FormulaC16H10Cl4
Molecular Weight344.07 g/mol
Exact Mass341.95
IUPAC Name1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene
SMILESC=Cc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1C=C
InChIInChI=1S/C16H10Cl4/c1-3-9-7-5-6-8-11(9)12-10(4-2)13(17)15(19)16(20)14(12)18/h3-8H,1-2H2
InChIKeyXVPVRUDNYRKVKJ-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.07
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene?
The IUPAC name of 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene (CID 139839744) is 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene.
What is the SMILES notation for 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene?
The canonical SMILES for 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene is C=Cc1ccccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1C=C.
What is the InChIKey of 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene?
The InChIKey is XVPVRUDNYRKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4/c1-3-9-7-5-6-8-11(9)12-10(4-2)13(17)15(19)16(20)14(12)18/h3-8H,1-2H2.
What are the key properties of 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene?
1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene has a molecular weight of 344.07 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5-ethenyl-6-(2-ethenylphenyl)benzene is sourced from PubChem (CID 139839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).