1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene

C15H13Br2Cl — CID 63429818

IUPAC1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
SMILESCc1ccc(C(Cl)c2cc(Br)ccc2Br)c(C)c1
InChIInChI=1S/C15H13Br2Cl/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15H,1-2H3
InChIKeyUGCHDXAHLNKNEO-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.16
Rot. Bonds2

About 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene

1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene (PubChem CID 63429818) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
PubChem CID63429818
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
SMILESCc1ccc(C(Cl)c2cc(Br)ccc2Br)c(C)c1
InChIInChI=1S/C15H13Br2Cl/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15H,1-2H3
InChIKeyUGCHDXAHLNKNEO-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.16
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-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
CID 81112789
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
6-bromo-7-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433203
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 113319625
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene?
The IUPAC name of 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene (CID 63429818) is 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene is Cc1ccc(C(Cl)c2cc(Br)ccc2Br)c(C)c1.
What is the InChIKey of 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene?
The InChIKey is UGCHDXAHLNKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(16)4-6-14(13)17/h3-8,15H,1-2H3.
What are the key properties of 1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene?
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene has a molecular weight of 388.53 g/mol, XLogP of 6.16, 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-[chloro-(2,4-dimethylphenyl)methyl]benzene is sourced from PubChem (CID 63429818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).