2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene

C16H16BrCl — CID 63431891

IUPAC2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2ccccc2Br)c(C)c1
InChIInChI=1S/C16H16BrCl/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9,16H,1-3H3
InChIKeyXWUANLWYRAVVJQ-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.70
Rot. Bonds2

About 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene

2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene (PubChem CID 63431891) has the molecular formula C16H16BrCl and a molecular weight of 323.66 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
PubChem CID63431891
Molecular FormulaC16H16BrCl
Molecular Weight323.66 g/mol
Exact Mass322.01
IUPAC Name2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(C(Cl)c2ccccc2Br)c(C)c1
InChIInChI=1S/C16H16BrCl/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9,16H,1-3H3
InChIKeyXWUANLWYRAVVJQ-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.66
LogP ≤ 55.70
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-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431799
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680488
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
2-[chloro-(2,5-dimethoxyphenyl)methyl]-1,3,5-trimethylbenzene
CID 63429668
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55224263
2-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 114560632
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
[1-(2-bromophenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 105208762

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene (CID 63431891) is 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene is Cc1cc(C)c(C(Cl)c2ccccc2Br)c(C)c1.
What is the InChIKey of 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene?
The InChIKey is XWUANLWYRAVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17/h4-9,16H,1-3H3.
What are the key properties of 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene?
2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene has a molecular weight of 323.66 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 63431891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).