methyl 2-(3-bromo-5-formylphenoxy)acetate

C10H9BrO4 — CID 144883956

IUPACmethyl 2-(3-bromo-5-formylphenoxy)acetate
SMILESCOC(=O)COc1cc(Br)cc(C=O)c1
InChIInChI=1S/C10H9BrO4/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-5H,6H2,1H3
InChIKeyIURJXNMLCCRITL-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-(3-bromo-5-formylphenoxy)acetate

methyl 2-(3-bromo-5-formylphenoxy)acetate (PubChem CID 144883956) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-formylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-formylphenoxy)acetate
PubChem CID144883956
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Namemethyl 2-(3-bromo-5-formylphenoxy)acetate
SMILESCOC(=O)COc1cc(Br)cc(C=O)c1
InChIInChI=1S/C10H9BrO4/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-5H,6H2,1H3
InChIKeyIURJXNMLCCRITL-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
methyl 2-[3-amino-5-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 21029862
methyl 2-[4-[(E)-3-(3-bromophenyl)prop-2-enoyl]phenoxy]acetate
CID 60601094
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate
CID 19575198
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
3,5-dibromobenzaldehyde;ethane
CID 145297632
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-formylphenoxy)acetate?
The IUPAC name of methyl 2-(3-bromo-5-formylphenoxy)acetate (CID 144883956) is methyl 2-(3-bromo-5-formylphenoxy)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-formylphenoxy)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-formylphenoxy)acetate is COC(=O)COc1cc(Br)cc(C=O)c1.
What is the InChIKey of methyl 2-(3-bromo-5-formylphenoxy)acetate?
The InChIKey is IURJXNMLCCRITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-14-10(13)6-15-9-3-7(5-12)2-8(11)4-9/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(3-bromo-5-formylphenoxy)acetate?
methyl 2-(3-bromo-5-formylphenoxy)acetate has a molecular weight of 273.08 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-formylphenoxy)acetate is sourced from PubChem (CID 144883956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).