1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene

C14H10Cl4Se — CID 139083206

IUPAC1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
SMILESClc1cccc(Cl)c1C[Se]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl4Se/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKeyWAWIRPQKCDQSNP-UHFFFAOYSA-N
MW399.01 g/mol
LogP5.70
Rot. Bonds4

About 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene

1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene (PubChem CID 139083206) has the molecular formula C14H10Cl4Se and a molecular weight of 399.01 g/mol. Its IUPAC name is 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
PubChem CID139083206
Molecular FormulaC14H10Cl4Se
Molecular Weight399.01 g/mol
Exact Mass397.87
IUPAC Name1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
SMILESClc1cccc(Cl)c1C[Se]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl4Se/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKeyWAWIRPQKCDQSNP-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.01
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl selenocyanate
CID 132988045
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
CID 174042722
CID 174042722
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
1,3-dichloro-2-(nitrosomethyl)benzene
CID 54118768
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
1-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755742
(2,6-dichlorophenyl)methyl-methyldiazene
CID 123418574
3-(2,6-dichlorophenyl)propane-1-thiol
CID 83924894

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene (CID 139083206) is 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene is Clc1cccc(Cl)c1C[Se]Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene?
The InChIKey is WAWIRPQKCDQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4Se/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2.
What are the key properties of 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene?
1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene has a molecular weight of 399.01 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene is sourced from PubChem (CID 139083206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).