1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene

C14H10BrCl3 — CID 81324147

IUPAC1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
SMILESCc1cc(Cl)cc(C(Br)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10BrCl3/c1-8-4-9(6-11(17)5-8)14(15)12-3-2-10(16)7-13(12)18/h2-7,14H,1H3
InChIKeyHBPWUNNAAHUDPC-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.44
Rot. Bonds2

About 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene

1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene (PubChem CID 81324147) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
PubChem CID81324147
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
SMILESCc1cc(Cl)cc(C(Br)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10BrCl3/c1-8-4-9(6-11(17)5-8)14(15)12-3-2-10(16)7-13(12)18/h2-7,14H,1H3
InChIKeyHBPWUNNAAHUDPC-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.44
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

5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
1-[bromo-(3-chloro-4-methylphenyl)methyl]-2,4-dichlorobenzene
CID 63444213
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
1-[bromo(phenyl)methyl]-3-chloro-5-methylbenzene
CID 81324401
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 81324228
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
2-[bromo-(3-chloro-5-methylphenyl)methyl]-3-chlorothiophene
CID 81324150
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
5-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 81324231
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene (CID 81324147) is 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene is Cc1cc(Cl)cc(C(Br)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene?
The InChIKey is HBPWUNNAAHUDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c1-8-4-9(6-11(17)5-8)14(15)12-3-2-10(16)7-13(12)18/h2-7,14H,1H3.
What are the key properties of 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene?
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene has a molecular weight of 364.50 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 81324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).