1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene

C14H9Br4Cl — CID 114020889

IUPAC1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br4Cl/c1-7-2-13(17)11(6-12(7)16)14(18)8-3-9(15)5-10(19)4-8/h2-6,14H,1H3
InChIKeyXIFJSOBNOKKCCF-UHFFFAOYSA-N
MW532.30 g/mol
LogP7.42
Rot. Bonds2

About 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene

1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene (PubChem CID 114020889) has the molecular formula C14H9Br4Cl and a molecular weight of 532.30 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
PubChem CID114020889
Molecular FormulaC14H9Br4Cl
Molecular Weight532.30 g/mol
Exact Mass527.71
IUPAC Name1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Br)c(C(Br)c2cc(Cl)cc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br4Cl/c1-7-2-13(17)11(6-12(7)16)14(18)8-3-9(15)5-10(19)4-8/h2-6,14H,1H3
InChIKeyXIFJSOBNOKKCCF-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.30
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104
1,4-dibromo-2-[bromo-(3-bromophenyl)methyl]-5-methylbenzene
CID 81470930
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218
1,4-dibromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-5-methylbenzene
CID 81470322
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959180
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
1,4-dibromo-2-(1-bromo-2-methylpropyl)-5-methylbenzene
CID 81474215
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
1-[(3-bromo-5-chlorophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 107959015

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene (CID 114020889) is 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene is Cc1cc(Br)c(C(Br)c2cc(Cl)cc(Br)c2)cc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene?
The InChIKey is XIFJSOBNOKKCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br4Cl/c1-7-2-13(17)11(6-12(7)16)14(18)8-3-9(15)5-10(19)4-8/h2-6,14H,1H3.
What are the key properties of 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene?
1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene has a molecular weight of 532.30 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 114020889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).