4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene

C14H12BrCl — CID 63429179

IUPAC4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
SMILESCc1cc(Br)ccc1C(Cl)c1ccccc1
InChIInChI=1S/C14H12BrCl/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyICHSRDREYAYKNP-UHFFFAOYSA-N
MW295.61 g/mol
LogP5.09
Rot. Bonds2

About 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene

4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene (PubChem CID 63429179) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene.

Molecular Properties

Compound Name4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
PubChem CID63429179
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene
SMILESCc1cc(Br)ccc1C(Cl)c1ccccc1
InChIInChI=1S/C14H12BrCl/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyICHSRDREYAYKNP-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.61
LogP ≤ 55.09
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

2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
2-bromo-5-[(4-bromo-2-methylphenyl)-chloromethyl]-3-methylthiophene
CID 79992124
1-[chloro-(4-methylphenyl)methyl]-2,4-dimethylbenzene
CID 63428656
2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
CID 81476239
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
4-bromo-2-[(4-tert-butylphenyl)-chloromethyl]-1-methylbenzene
CID 65307334
2-[(4-bromo-2-methylphenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427678
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene?
The IUPAC name of 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene (CID 63429179) is 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene.
What is the SMILES notation for 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene?
The canonical SMILES for 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene is Cc1cc(Br)ccc1C(Cl)c1ccccc1.
What is the InChIKey of 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene?
The InChIKey is ICHSRDREYAYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c1-10-9-12(15)7-8-13(10)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene?
4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene has a molecular weight of 295.61 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[chloro(phenyl)methyl]-2-methylbenzene is sourced from PubChem (CID 63429179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).