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

C15H9Br2Cl3O2 — CID 139662682

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

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

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

Launch Full Analysis

Related Compounds

1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
CID 54158760
1,4-dichloro-2-(4-chlorophenoxy)-5-(3,3-dibromoprop-2-enoxy)benzene
CID 21466428
3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
CID 21466188
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927
3,5-dichloro-4-[4-(4-chlorophenoxy)but-2-enoxy]phenol
CID 54086688
2-(3-bromopropoxy)-1-chloro-5-(3,3-dibromoprop-2-enoxy)-3-fluorobenzene
CID 54485733
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
CID 21466190
1-chloro-2-(3,3-dibromoprop-2-enoxy)-4-methyl-5-(4-propan-2-yloxyphenoxy)benzene
CID 21466144
1,3-dichloro-5-(3,3-dibromoprop-2-enoxy)-4-fluoro-2-methoxybenzene
CID 18725391

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).