1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene

C16H15BrCl2 — CID 113319625

IUPAC1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C16H15BrCl2/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8,16H,1-3H3
InChIKeyVILVWNUXVTWDJA-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.36
Rot. Bonds2

About 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene

1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene (PubChem CID 113319625) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
PubChem CID113319625
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C16H15BrCl2/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8,16H,1-3H3
InChIKeyVILVWNUXVTWDJA-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.36
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-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
CID 81112789
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
5-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-2-methylthiophene
CID 81116910
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
1-[chloro-(2-chloro-4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 106862883
2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
CID 106689203
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
1-chloro-2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050811
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene?
The IUPAC name of 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene (CID 113319625) is 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene.
What is the SMILES notation for 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene?
The canonical SMILES for 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene is Cc1ccc(Br)c(C(Cl)c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene?
The InChIKey is VILVWNUXVTWDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-9-4-5-14(17)12(6-9)16(19)13-7-10(2)11(3)8-15(13)18/h4-8,16H,1-3H3.
What are the key properties of 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene?
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene has a molecular weight of 358.11 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene is sourced from PubChem (CID 113319625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).