2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene

C13H8Br2Cl2O — CID 114847129

IUPAC2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
SMILESClCc1cc(Cl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2Cl2O/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(17)5-8(12)7-16/h1-6H,7H2
InChIKeyNLWAXDCGPTWTLU-UHFFFAOYSA-N
MW410.92 g/mol
LogP6.40
Rot. Bonds3

About 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene

2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene (PubChem CID 114847129) has the molecular formula C13H8Br2Cl2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
PubChem CID114847129
Molecular FormulaC13H8Br2Cl2O
Molecular Weight410.92 g/mol
Exact Mass407.83
IUPAC Name2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
SMILESClCc1cc(Cl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br2Cl2O/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(17)5-8(12)7-16/h1-6H,7H2
InChIKeyNLWAXDCGPTWTLU-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
2-[2-(2,4-dibromophenoxy)phenyl]acetic acid
CID 15581881
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene (CID 114847129) is 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene is ClCc1cc(Cl)ccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene?
The InChIKey is NLWAXDCGPTWTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2Cl2O/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(17)5-8(12)7-16/h1-6H,7H2.
What are the key properties of 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene?
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene has a molecular weight of 410.92 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene is sourced from PubChem (CID 114847129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).