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

C14H10BrCl3 — CID 63444213

IUPAC1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3
InChIKeyDKPPOIKKHUEXQB-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.44
Rot. Bonds2

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

1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene (PubChem CID 63444213) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
PubChem CID63444213
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C14H10BrCl3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3
InChIKeyDKPPOIKKHUEXQB-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.44
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-chloro-4-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477569
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050900
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
7-[bromo-(3-chloro-4-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63444784
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene (CID 63444213) is 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene is Cc1ccc(C(Br)c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene?
The InChIKey is DKPPOIKKHUEXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c1-8-2-3-9(6-12(8)17)14(15)11-5-4-10(16)7-13(11)18/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene?
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene has a molecular weight of 364.50 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 63444213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).