methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate

C11H13BrO5 — CID 43622677

IUPACmethyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(Br)cc(CO)cc1OC
InChIInChI=1S/C11H13BrO5/c1-15-9-4-7(5-13)3-8(12)11(9)17-6-10(14)16-2/h3-4,13H,5-6H2,1-2H3
InChIKeyVEPNEDBXCYWXNJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate

methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate (PubChem CID 43622677) has the molecular formula C11H13BrO5 and a molecular weight of 305.12 g/mol. Its IUPAC name is methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
PubChem CID43622677
Molecular FormulaC11H13BrO5
Molecular Weight305.12 g/mol
Exact Mass303.99
IUPAC Namemethyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
SMILESCOC(=O)COc1c(Br)cc(CO)cc1OC
InChIInChI=1S/C11H13BrO5/c1-15-9-4-7(5-13)3-8(12)11(9)17-6-10(14)16-2/h3-4,13H,5-6H2,1-2H3
InChIKeyVEPNEDBXCYWXNJ-UHFFFAOYSA-N
XLogP1.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 43622673
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486376
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 45371704
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
2-[2-bromo-4-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 63056313
3-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62627586
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
2-[2-bromo-4-(ethylaminomethyl)-6-methoxyphenoxy]-N-ethylacetamide
CID 43622324

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate (CID 43622677) is methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate is COC(=O)COc1c(Br)cc(CO)cc1OC.
What is the InChIKey of methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate?
The InChIKey is VEPNEDBXCYWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO5/c1-15-9-4-7(5-13)3-8(12)11(9)17-6-10(14)16-2/h3-4,13H,5-6H2,1-2H3.
What are the key properties of methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate?
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate has a molecular weight of 305.12 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate is sourced from PubChem (CID 43622677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).