2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene

C15H13BrCl2O — CID 107725024

IUPAC2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Oc2cccc(Cl)c2CCl)cc(C)c1Br
InChIInChI=1S/C15H13BrCl2O/c1-9-6-11(7-10(2)15(9)16)19-14-5-3-4-13(18)12(14)8-17/h3-7H,8H2,1-2H3
InChIKeyDEPJRZWRASWISC-UHFFFAOYSA-N
MW360.08 g/mol
LogP6.25
Rot. Bonds3

About 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene

2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene (PubChem CID 107725024) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
PubChem CID107725024
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
SMILESCc1cc(Oc2cccc(Cl)c2CCl)cc(C)c1Br
InChIInChI=1S/C15H13BrCl2O/c1-9-6-11(7-10(2)15(9)16)19-14-5-3-4-13(18)12(14)8-17/h3-7H,8H2,1-2H3
InChIKeyDEPJRZWRASWISC-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 56.25
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

2-chloro-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 63565892
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
1-(4-butan-2-ylphenoxy)-3-chloro-2-(chloromethyl)benzene
CID 107666166
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
1-chloro-2-(chloromethyl)-3-(3-fluoro-4-nitrophenoxy)benzene
CID 63568216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene (CID 107725024) is 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene is Cc1cc(Oc2cccc(Cl)c2CCl)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
The InChIKey is DEPJRZWRASWISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-6-11(7-10(2)15(9)16)19-14-5-3-4-13(18)12(14)8-17/h3-7H,8H2,1-2H3.
What are the key properties of 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene?
2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene has a molecular weight of 360.08 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 107725024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).