methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate

C9H8Br2O3 — CID 10711075

IUPACmethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H8Br2O3/c1-14-8(12)4-5-2-6(10)9(13)7(11)3-5/h2-3,13H,4H2,1H3
InChIKeyOXEQAKXFKIZTCQ-UHFFFAOYSA-N
MW323.97 g/mol
LogP2.63
Rot. Bonds2

About methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate

methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate (PubChem CID 10711075) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate
PubChem CID10711075
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Namemethyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H8Br2O3/c1-14-8(12)4-5-2-6(10)9(13)7(11)3-5/h2-3,13H,4H2,1H3
InChIKeyOXEQAKXFKIZTCQ-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate (CID 10711075) is methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate is COC(=O)Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate?
The InChIKey is OXEQAKXFKIZTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-14-8(12)4-5-2-6(10)9(13)7(11)3-5/h2-3,13H,4H2,1H3.
What are the key properties of methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate?
methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate has a molecular weight of 323.97 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dibromo-4-hydroxyphenyl)acetate is sourced from PubChem (CID 10711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).