5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene

C15H13BrCl2O — CID 107087711

IUPAC5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
SMILESCc1cc(Oc2ccc(Cl)cc2CBr)cc(C)c1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-5-13(6-10(2)15(9)18)19-14-4-3-12(17)7-11(14)8-16/h3-7H,8H2,1-2H3
InChIKeyFEWRHCZBRQFUFW-UHFFFAOYSA-N
MW360.08 g/mol
LogP6.30
Rot. Bonds3

About 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene

5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene (PubChem CID 107087711) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
PubChem CID107087711
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
SMILESCc1cc(Oc2ccc(Cl)cc2CBr)cc(C)c1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-5-13(6-10(2)15(9)18)19-14-4-3-12(17)7-11(14)8-16/h3-7H,8H2,1-2H3
InChIKeyFEWRHCZBRQFUFW-UHFFFAOYSA-N
XLogP6.30
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 ≤ 56.30
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

1-[2-(bromomethyl)-4-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087609
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
2-(bromomethyl)-4-chloro-1-(4-propylphenoxy)benzene
CID 107088390
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
3-[2-(bromomethyl)-4-chlorophenoxy]-2-methylpyridine
CID 107088857
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
CID 107087809
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene?
The IUPAC name of 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene (CID 107087711) is 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene?
The canonical SMILES for 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene is Cc1cc(Oc2ccc(Cl)cc2CBr)cc(C)c1Cl.
What is the InChIKey of 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene?
The InChIKey is FEWRHCZBRQFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-5-13(6-10(2)15(9)18)19-14-4-3-12(17)7-11(14)8-16/h3-7H,8H2,1-2H3.
What are the key properties of 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene?
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene has a molecular weight of 360.08 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene is sourced from PubChem (CID 107087711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).