methyl 3-(2,4,6-tribromophenoxy)propanoate

C10H9Br3O3 — CID 29005554

IUPACmethyl 3-(2,4,6-tribromophenoxy)propanoate
SMILESCOC(=O)CCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H9Br3O3/c1-15-9(14)2-3-16-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3
InChIKeyMZLBIXWBEDZFIR-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.92
Rot. Bonds4

About methyl 3-(2,4,6-tribromophenoxy)propanoate

methyl 3-(2,4,6-tribromophenoxy)propanoate (PubChem CID 29005554) has the molecular formula C10H9Br3O3 and a molecular weight of 416.89 g/mol. Its IUPAC name is methyl 3-(2,4,6-tribromophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,4,6-tribromophenoxy)propanoate
PubChem CID29005554
Molecular FormulaC10H9Br3O3
Molecular Weight416.89 g/mol
Exact Mass413.81
IUPAC Namemethyl 3-(2,4,6-tribromophenoxy)propanoate
SMILESCOC(=O)CCOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H9Br3O3/c1-15-9(14)2-3-16-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3
InChIKeyMZLBIXWBEDZFIR-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,4,6-tribromophenoxy)butanoate
CID 43378196
methyl 3-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79844736
methyl 3-(5,7-dibromo-2-chloroquinolin-8-yl)oxypropanoate
CID 83224029
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 116692098
methyl 3-(5-bromo-2-methylphenoxy)propanoate
CID 107283195
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
1-piperazin-1-yl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 62544411

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4,6-tribromophenoxy)propanoate?
The IUPAC name of methyl 3-(2,4,6-tribromophenoxy)propanoate (CID 29005554) is methyl 3-(2,4,6-tribromophenoxy)propanoate.
What is the SMILES notation for methyl 3-(2,4,6-tribromophenoxy)propanoate?
The canonical SMILES for methyl 3-(2,4,6-tribromophenoxy)propanoate is COC(=O)CCOc1c(Br)cc(Br)cc1Br.
What is the InChIKey of methyl 3-(2,4,6-tribromophenoxy)propanoate?
The InChIKey is MZLBIXWBEDZFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br3O3/c1-15-9(14)2-3-16-10-7(12)4-6(11)5-8(10)13/h4-5H,2-3H2,1H3.
What are the key properties of methyl 3-(2,4,6-tribromophenoxy)propanoate?
methyl 3-(2,4,6-tribromophenoxy)propanoate has a molecular weight of 416.89 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4,6-tribromophenoxy)propanoate is sourced from PubChem (CID 29005554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).