1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene

C14H10Br2Cl2O — CID 63435476

IUPAC1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H10Br2Cl2O/c1-19-13-5-2-8(6-11(13)15)14(16)10-4-3-9(17)7-12(10)18/h2-7,14H,1H3
InChIKeyWFYAZVQWGDUONE-UHFFFAOYSA-N
MW424.95 g/mol
LogP6.25
Rot. Bonds3

About 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene

1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene (PubChem CID 63435476) has the molecular formula C14H10Br2Cl2O and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
PubChem CID63435476
Molecular FormulaC14H10Br2Cl2O
Molecular Weight424.95 g/mol
Exact Mass421.85
IUPAC Name1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Br
InChIInChI=1S/C14H10Br2Cl2O/c1-19-13-5-2-8(6-11(13)15)14(16)10-4-3-9(17)7-12(10)18/h2-7,14H,1H3
InChIKeyWFYAZVQWGDUONE-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 56.25
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-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840124
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene (CID 63435476) is 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene is COc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Br.
What is the InChIKey of 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene?
The InChIKey is WFYAZVQWGDUONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O/c1-19-13-5-2-8(6-11(13)15)14(16)10-4-3-9(17)7-12(10)18/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene?
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene has a molecular weight of 424.95 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63435476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).