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

C14H10Br3Cl — CID 107099130

IUPAC1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
SMILESCc1c(Cl)cccc1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3Cl/c1-8-10(3-2-4-13(8)18)14(17)11-7-9(15)5-6-12(11)16/h2-7,14H,1H3
InChIKeyLCJMBSQQVXONNK-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.66
Rot. Bonds2

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

1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene (PubChem CID 107099130) has the molecular formula C14H10Br3Cl and a molecular weight of 453.40 g/mol. Its IUPAC name is 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
PubChem CID107099130
Molecular FormulaC14H10Br3Cl
Molecular Weight453.40 g/mol
Exact Mass449.80
IUPAC Name1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene
SMILESCc1c(Cl)cccc1C(Br)c1cc(Br)ccc1Br
InChIInChI=1S/C14H10Br3Cl/c1-8-10(3-2-4-13(8)18)14(17)11-7-9(15)5-6-12(11)16/h2-7,14H,1H3
InChIKeyLCJMBSQQVXONNK-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 56.66
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-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
1,4-dibromo-2-[bromo-(3-bromo-2-fluorophenyl)methyl]benzene
CID 107958201
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
1-bromo-3-[bromo-(3-chloro-2-methylphenyl)methyl]-4-methoxy-2,5-dimethylbenzene
CID 107099369
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
1,4-dibromo-2-[bromo-(2-chloro-4-fluorophenyl)methyl]benzene
CID 63437855
2-[bromo-(3-chloro-2-methylphenyl)methyl]-3,5-dimethylthiophene
CID 107099335
1,4-dibromo-2-[bromo-(3,5-dimethylphenyl)methyl]benzene
CID 63437775
1-(3-chloro-2-methylphenyl)prop-2-yn-1-ol
CID 107103388
3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene (CID 107099130) is 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene is Cc1c(Cl)cccc1C(Br)c1cc(Br)ccc1Br.
What is the InChIKey of 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene?
The InChIKey is LCJMBSQQVXONNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3Cl/c1-8-10(3-2-4-13(8)18)14(17)11-7-9(15)5-6-12(11)16/h2-7,14H,1H3.
What are the key properties of 1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene?
1,4-dibromo-2-[bromo-(3-chloro-2-methylphenyl)methyl]benzene has a molecular weight of 453.40 g/mol, XLogP of 6.66, 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-chloro-2-methylphenyl)methyl]benzene is sourced from PubChem (CID 107099130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).