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

C12H8Br4Cl2O2 — CID 54158760

IUPAC1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
SMILESClc1cc(OCC=C(Br)Br)cc(Cl)c1OCC=C(Br)Br
InChIInChI=1S/C12H8Br4Cl2O2/c13-10(14)1-3-19-7-5-8(17)12(9(18)6-7)20-4-2-11(15)16/h1-2,5-6H,3-4H2
InChIKeyOMXZNNMENAIKIW-UHFFFAOYSA-N
MW574.72 g/mol
LogP7.01
Rot. Bonds6

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

1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene (PubChem CID 54158760) has the molecular formula C12H8Br4Cl2O2 and a molecular weight of 574.72 g/mol. Its IUPAC name is 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
PubChem CID54158760
Molecular FormulaC12H8Br4Cl2O2
Molecular Weight574.72 g/mol
Exact Mass569.66
IUPAC Name1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
SMILESClc1cc(OCC=C(Br)Br)cc(Cl)c1OCC=C(Br)Br
InChIInChI=1S/C12H8Br4Cl2O2/c13-10(14)1-3-19-7-5-8(17)12(9(18)6-7)20-4-2-11(15)16/h1-2,5-6H,3-4H2
InChIKeyOMXZNNMENAIKIW-UHFFFAOYSA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
CID 139662682
2-(3-bromopropoxy)-1-chloro-5-(3,3-dibromoprop-2-enoxy)-3-fluorobenzene
CID 54485733
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
CID 22006865
N-[7-[2-chloro-4-(3,3-dibromoprop-2-enoxy)-6-fluorophenoxy]heptoxy]propan-2-imine
CID 22964013
methyl (E)-2-[2-[[3,5-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 140509036
(2E)-2-[2-[[3,5-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]methyl]phenyl]-2-methoxyiminoacetic acid
CID 87949328
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene?
The IUPAC name of 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene (CID 54158760) is 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene?
The canonical SMILES for 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene is Clc1cc(OCC=C(Br)Br)cc(Cl)c1OCC=C(Br)Br.
What is the InChIKey of 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene?
The InChIKey is OMXZNNMENAIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br4Cl2O2/c13-10(14)1-3-19-7-5-8(17)12(9(18)6-7)20-4-2-11(15)16/h1-2,5-6H,3-4H2.
What are the key properties of 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene?
1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene has a molecular weight of 574.72 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene is sourced from PubChem (CID 54158760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).