1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene

C15H13BrCl2 — CID 63444898

IUPAC1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C15H13BrCl2/c1-9-4-3-5-12(10(9)2)15(16)13-8-11(17)6-7-14(13)18/h3-8,15H,1-2H3
InChIKeyHUJBIVCUMOWYMB-UHFFFAOYSA-N
MW344.08 g/mol
LogP6.09
Rot. Bonds2

About 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene

1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene (PubChem CID 63444898) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
PubChem CID63444898
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)c2cc(Cl)ccc2Cl)c1C
InChIInChI=1S/C15H13BrCl2/c1-9-4-3-5-12(10(9)2)15(16)13-8-11(17)6-7-14(13)18/h3-8,15H,1-2H3
InChIKeyHUJBIVCUMOWYMB-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 56.09
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-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
CID 63437033
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63437653
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene (CID 63444898) is 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene is Cc1cccc(C(Br)c2cc(Cl)ccc2Cl)c1C.
What is the InChIKey of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is HUJBIVCUMOWYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-9-4-3-5-12(10(9)2)15(16)13-8-11(17)6-7-14(13)18/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene?
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 344.08 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63444898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).