methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate

C10H7Br3O4 — CID 19575198

IUPACmethyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate
SMILESCOC(=O)COc1c(Br)cc(Br)c(C=O)c1Br
InChIInChI=1S/C10H7Br3O4/c1-16-8(15)4-17-10-7(12)2-6(11)5(3-14)9(10)13/h2-3H,4H2,1H3
InChIKeyNPGNSVJITDPFRE-UHFFFAOYSA-N
MW430.87 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate

methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate (PubChem CID 19575198) has the molecular formula C10H7Br3O4 and a molecular weight of 430.87 g/mol. Its IUPAC name is methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate
PubChem CID19575198
Molecular FormulaC10H7Br3O4
Molecular Weight430.87 g/mol
Exact Mass427.79
IUPAC Namemethyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate
SMILESCOC(=O)COc1c(Br)cc(Br)c(C=O)c1Br
InChIInChI=1S/C10H7Br3O4/c1-16-8(15)4-17-10-7(12)2-6(11)5(3-14)9(10)13/h2-3H,4H2,1H3
InChIKeyNPGNSVJITDPFRE-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.87
LogP ≤ 53.34
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

methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
2,4,6-tribromo-3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 22263727
methyl 2-(3-bromo-5-formylphenoxy)acetate
CID 144883956
methyl 2-[4-(2-aminobutyl)-2,6-dibromophenoxy]acetate
CID 107740004
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
methyl 2-(2-bromo-3-formylphenoxy)acetate
CID 59515358
methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
CID 91674415
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 4-bromo-3-(2-methoxy-2-oxoethoxy)thiophene-2-carboxylate
CID 15588110
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate?
The IUPAC name of methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate (CID 19575198) is methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate?
The canonical SMILES for methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate is COC(=O)COc1c(Br)cc(Br)c(C=O)c1Br.
What is the InChIKey of methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate?
The InChIKey is NPGNSVJITDPFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br3O4/c1-16-8(15)4-17-10-7(12)2-6(11)5(3-14)9(10)13/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate?
methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate has a molecular weight of 430.87 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,6-tribromo-3-formylphenoxy)acetate is sourced from PubChem (CID 19575198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).