5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene

C15H12BrCl3O — CID 115962273

IUPAC5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cc(Br)cc(CCl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl3O/c1-9-5-11(16)6-10(7-17)15(9)20-8-12-13(18)3-2-4-14(12)19/h2-6H,7-8H2,1H3
InChIKeyDEHFCKLVAUXQIX-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.38
Rot. Bonds4

About 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene

5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene (PubChem CID 115962273) has the molecular formula C15H12BrCl3O and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene.

Molecular Properties

Compound Name5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
PubChem CID115962273
Molecular FormulaC15H12BrCl3O
Molecular Weight394.52 g/mol
Exact Mass391.91
IUPAC Name5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
SMILESCc1cc(Br)cc(CCl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl3O/c1-9-5-11(16)6-10(7-17)15(9)20-8-12-13(18)3-2-4-14(12)19/h2-6H,7-8H2,1H3
InChIKeyDEHFCKLVAUXQIX-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301
5-bromo-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methylbenzene
CID 115962338
5-bromo-1-(bromomethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methylbenzene
CID 107306942
5-bromo-1-(chloromethyl)-3-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 115962315
1-chloro-2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613291
3-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115962300
2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112621287
3-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]thiophene
CID 112621217
1-(bromomethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene
CID 112614167
5-bromo-1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-methylbenzene
CID 112621220
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The IUPAC name of 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene (CID 115962273) is 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene.
What is the SMILES notation for 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The canonical SMILES for 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene is Cc1cc(Br)cc(CCl)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
The InChIKey is DEHFCKLVAUXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3O/c1-9-5-11(16)6-10(7-17)15(9)20-8-12-13(18)3-2-4-14(12)19/h2-6H,7-8H2,1H3.
What are the key properties of 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene?
5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene has a molecular weight of 394.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(chloromethyl)-2-[(2,6-dichlorophenyl)methoxy]-3-methylbenzene is sourced from PubChem (CID 115962273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).