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

C14H10Br4O — CID 63438155

IUPAC1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2Br)cc1Br
InChIInChI=1S/C14H10Br4O/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,1H3
InChIKeyCWPUVIZYPCCIOU-UHFFFAOYSA-N
MW513.85 g/mol
LogP6.47
Rot. Bonds3

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

1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene (PubChem CID 63438155) has the molecular formula C14H10Br4O and a molecular weight of 513.85 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
PubChem CID63438155
Molecular FormulaC14H10Br4O
Molecular Weight513.85 g/mol
Exact Mass509.75
IUPAC Name1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2Br)cc1Br
InChIInChI=1S/C14H10Br4O/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,1H3
InChIKeyCWPUVIZYPCCIOU-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 56.47
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

1-bromo-4-[bromo-(4-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057398
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
2-bromo-4-[bromo-(4-methylphenyl)methyl]-1-methoxybenzene
CID 63435883
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene (CID 63438155) is 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene is COc1ccc(C(Br)c2cc(Br)ccc2Br)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene?
The InChIKey is CWPUVIZYPCCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4O/c1-19-13-5-2-8(6-12(13)17)14(18)10-7-9(15)3-4-11(10)16/h2-7,14H,1H3.
What are the key properties of 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene?
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene has a molecular weight of 513.85 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 63438155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).