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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Related Compounds

CID 37034
CID 37034
CID 40470
CID 40470
CID 36187
CID 36187
CID 63090
CID 63090
CID 38018
CID 38018
CID 35823
CID 35823
CID 36188
CID 36188
CID 38019
CID 38019
CID 40475
CID 40475
CID 53036
CID 53036
CID 40479
CID 40479
CID 36231
CID 36231

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).