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1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene

C15H9Br2Cl3O2 — CID 139662682

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
SMILESClc1ccc(Oc2cc(Cl)c(OCC=C(Br)Br)c(Cl)c2)cc1
InChIInChI=1S/C15H9Br2Cl3O2/c16-14(17)5-6-21-15-12(19)7-11(8-13(15)20)22-10-3-1-9(18)2-4-10/h1-5,7-8H,6H2
InChIKeyIKWDJZVBECRISR-UHFFFAOYSA-N
MW487.40 g/mol
LogP7.45
Rot. Bonds5

About 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene

1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene (PubChem CID 139662682) has the molecular formula C15H9Br2Cl3O2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
PubChem CID139662682
Molecular FormulaC15H9Br2Cl3O2
Molecular Weight487.40 g/mol
Exact Mass483.80
IUPAC Name1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
SMILESClc1ccc(Oc2cc(Cl)c(OCC=C(Br)Br)c(Cl)c2)cc1
InChIInChI=1S/C15H9Br2Cl3O2/c16-14(17)5-6-21-15-12(19)7-11(8-13(15)20)22-10-3-1-9(18)2-4-10/h1-5,7-8H,6H2
InChIKeyIKWDJZVBECRISR-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene?
The IUPAC name of 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene (CID 139662682) is 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene.
What is the SMILES notation for 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene?
The canonical SMILES for 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene is Clc1ccc(Oc2cc(Cl)c(OCC=C(Br)Br)c(Cl)c2)cc1.
What is the InChIKey of 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene?
The InChIKey is IKWDJZVBECRISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2Cl3O2/c16-14(17)5-6-21-15-12(19)7-11(8-13(15)20)22-10-3-1-9(18)2-4-10/h1-5,7-8H,6H2.
What are the key properties of 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene?
1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene has a molecular weight of 487.40 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene is sourced from PubChem (CID 139662682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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