2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene

C14H10BrCl3 — CID 81476163

IUPAC2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C14H10BrCl3/c1-8-2-3-9(6-11(8)15)14(18)10-4-5-12(16)13(17)7-10/h2-7,14H,1H3
InChIKeyDKHMKJNCVWDFNJ-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.39
Rot. Bonds2

About 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene

2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene (PubChem CID 81476163) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
PubChem CID81476163
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C14H10BrCl3/c1-8-2-3-9(6-11(8)15)14(18)10-4-5-12(16)13(17)7-10/h2-7,14H,1H3
InChIKeyDKHMKJNCVWDFNJ-UHFFFAOYSA-N
XLogP6.39
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 ≤ 56.39
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

2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
CID 81476239
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-fluorobenzene
CID 79742771
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
2-bromo-4-[chloro-(3,4-dimethoxyphenyl)methyl]-1-methylbenzene
CID 81476083
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
CID 63436451
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3,5-dimethylthiophene
CID 81476170

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene (CID 81476163) is 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene is Cc1ccc(C(Cl)c2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene?
The InChIKey is DKHMKJNCVWDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c1-8-2-3-9(6-11(8)15)14(18)10-4-5-12(16)13(17)7-10/h2-7,14H,1H3.
What are the key properties of 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene?
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene has a molecular weight of 364.50 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 81476163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).