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

C16H15Br2Cl — CID 81112789

IUPAC1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C16H15Br2Cl/c1-9-4-5-14(17)13(6-9)16(19)12-7-11(3)15(18)8-10(12)2/h4-8,16H,1-3H3
InChIKeyYWCRTVBXCTUAOM-UHFFFAOYSA-N
MW402.56 g/mol
LogP6.47
Rot. Bonds2

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

1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene (PubChem CID 81112789) has the molecular formula C16H15Br2Cl and a molecular weight of 402.56 g/mol. Its IUPAC name is 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
PubChem CID81112789
Molecular FormulaC16H15Br2Cl
Molecular Weight402.56 g/mol
Exact Mass399.92
IUPAC Name1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2cc(C)c(Br)cc2C)c1
InChIInChI=1S/C16H15Br2Cl/c1-9-4-5-14(17)13(6-9)16(19)12-7-11(3)15(18)8-10(12)2/h4-8,16H,1-3H3
InChIKeyYWCRTVBXCTUAOM-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 56.47
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-4,5-dimethylbenzene
CID 113319625
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
5-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-2-methylthiophene
CID 81116910
2,3-dibromo-5-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]thiophene
CID 80538747
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
CID 81111630
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1-bromo-2-[(4-butan-2-ylphenyl)-chloromethyl]-4-methylbenzene
CID 81112235
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethylbenzene
CID 114024870

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene?
The IUPAC name of 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene (CID 81112789) is 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene is Cc1ccc(Br)c(C(Cl)c2cc(C)c(Br)cc2C)c1.
What is the InChIKey of 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene?
The InChIKey is YWCRTVBXCTUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2Cl/c1-9-4-5-14(17)13(6-9)16(19)12-7-11(3)15(18)8-10(12)2/h4-8,16H,1-3H3.
What are the key properties of 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene?
1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene has a molecular weight of 402.56 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene is sourced from PubChem (CID 81112789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).