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

C14H12BrCl — CID 81476239

IUPAC2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccccc2)cc1Br
InChIInChI=1S/C14H12BrCl/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyVNAGCQLPRQURGW-UHFFFAOYSA-N
MW295.61 g/mol
LogP5.09
Rot. Bonds2

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

2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene (PubChem CID 81476239) has the molecular formula C14H12BrCl and a molecular weight of 295.61 g/mol. Its IUPAC name is 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
PubChem CID81476239
Molecular FormulaC14H12BrCl
Molecular Weight295.61 g/mol
Exact Mass293.98
IUPAC Name2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene
SMILESCc1ccc(C(Cl)c2ccccc2)cc1Br
InChIInChI=1S/C14H12BrCl/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyVNAGCQLPRQURGW-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-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
2-bromo-4-[chloro-(3,4-dimethoxyphenyl)methyl]-1-methylbenzene
CID 81476083
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3,5-dimethylthiophene
CID 81476170
7-[(3-bromo-4-methylphenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 81460256
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
1-[(3-bromo-4-methylphenyl)-chloromethyl]-2,4-difluoro-5-methylbenzene
CID 81476007
3-[(3-bromo-4-methylphenyl)-chloromethyl]-2,5-dichlorothiophene
CID 81476245
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene?
The IUPAC name of 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene (CID 81476239) is 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene?
The canonical SMILES for 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene is Cc1ccc(C(Cl)c2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene?
The InChIKey is VNAGCQLPRQURGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl/c1-10-7-8-12(9-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene?
2-bromo-4-[chloro(phenyl)methyl]-1-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 2-bromo-4-[chloro(phenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 81476239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).