1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene

C15H14BrCl — CID 63437033

IUPAC1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H14BrCl/c1-10-4-3-5-14(11(10)2)15(16)12-6-8-13(17)9-7-12/h3-9,15H,1-2H3
InChIKeyMMCWYAGRAQYFEU-UHFFFAOYSA-N
MW309.63 g/mol
LogP5.44
Rot. Bonds2

About 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene

1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene (PubChem CID 63437033) has the molecular formula C15H14BrCl and a molecular weight of 309.63 g/mol. Its IUPAC name is 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
PubChem CID63437033
Molecular FormulaC15H14BrCl
Molecular Weight309.63 g/mol
Exact Mass308.00
IUPAC Name1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene
SMILESCc1cccc(C(Br)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H14BrCl/c1-10-4-3-5-14(11(10)2)15(16)12-6-8-13(17)9-7-12/h3-9,15H,1-2H3
InChIKeyMMCWYAGRAQYFEU-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.63
LogP ≤ 55.44
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-(4-methoxyphenyl)methyl]-2,3-dimethylbenzene
CID 55198176
1-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dimethylbenzene
CID 63444898
1-[1-bromo-2-(4-chlorophenyl)ethyl]-2,3-dimethylbenzene
CID 63542441
1-[bromo-(2,3-dimethylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319692
1-[bromo-(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbenzene
CID 63443103
1-[1-(4-chlorophenyl)but-3-enyl]-2,3-dimethylbenzene
CID 176507269
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
5-[bromo-(2,3-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021319
1-[chloro-(4-propan-2-ylphenyl)methyl]-2,3-dimethylbenzene
CID 63435435
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
1-bromo-4-[bromo-(2-methylphenyl)methyl]benzene
CID 63439600
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene?
The IUPAC name of 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene (CID 63437033) is 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene is Cc1cccc(C(Br)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene?
The InChIKey is MMCWYAGRAQYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl/c1-10-4-3-5-14(11(10)2)15(16)12-6-8-13(17)9-7-12/h3-9,15H,1-2H3.
What are the key properties of 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene?
1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene has a molecular weight of 309.63 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-chlorophenyl)methyl]-2,3-dimethylbenzene is sourced from PubChem (CID 63437033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).