methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate

C11H11BrCl2O3 — CID 18620125

IUPACmethyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate
SMILESCOC(=O)COc1c(Cl)cc(CCBr)cc1Cl
InChIInChI=1S/C11H11BrCl2O3/c1-16-10(15)6-17-11-8(13)4-7(2-3-12)5-9(11)14/h4-5H,2-3,6H2,1H3
InChIKeyMMGKFDAWAOROSZ-UHFFFAOYSA-N
MW342.02 g/mol
LogP3.48
Rot. Bonds5

About methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate

methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate (PubChem CID 18620125) has the molecular formula C11H11BrCl2O3 and a molecular weight of 342.02 g/mol. Its IUPAC name is methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate
PubChem CID18620125
Molecular FormulaC11H11BrCl2O3
Molecular Weight342.02 g/mol
Exact Mass339.93
IUPAC Namemethyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate
SMILESCOC(=O)COc1c(Cl)cc(CCBr)cc1Cl
InChIInChI=1S/C11H11BrCl2O3/c1-16-10(15)6-17-11-8(13)4-7(2-3-12)5-9(11)14/h4-5H,2-3,6H2,1H3
InChIKeyMMGKFDAWAOROSZ-UHFFFAOYSA-N
XLogP3.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.02
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
methyl 2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate
CID 12993102
methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
CID 91674415
methyl 2-[4-(bromomethyl)-2,6-dichlorophenyl]acetate
CID 59419500
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-[2-chloro-6-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetate
CID 19644348
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
methyl 2-[4-(2-aminobutyl)-2,6-dibromophenoxy]acetate
CID 107740004
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate?
The IUPAC name of methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate (CID 18620125) is methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate?
The canonical SMILES for methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate is COC(=O)COc1c(Cl)cc(CCBr)cc1Cl.
What is the InChIKey of methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate?
The InChIKey is MMGKFDAWAOROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O3/c1-16-10(15)6-17-11-8(13)4-7(2-3-12)5-9(11)14/h4-5H,2-3,6H2,1H3.
What are the key properties of methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate?
methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate has a molecular weight of 342.02 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate is sourced from PubChem (CID 18620125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).