methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate

C10H11BrO4 — CID 11219575

IUPACmethyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)c(OC)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-14-9(13)5-6-3-7(11)10(15-2)8(12)4-6/h3-4,12H,5H2,1-2H3
InChIKeyQABMWYHERQJVHT-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.88
Rot. Bonds3

About methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate

methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate (PubChem CID 11219575) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate
PubChem CID11219575
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)c(OC)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-14-9(13)5-6-3-7(11)10(15-2)8(12)4-6/h3-4,12H,5H2,1-2H3
InChIKeyQABMWYHERQJVHT-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate (CID 11219575) is methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate is COC(=O)Cc1cc(O)c(OC)c(Br)c1.
What is the InChIKey of methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate?
The InChIKey is QABMWYHERQJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-14-9(13)5-6-3-7(11)10(15-2)8(12)4-6/h3-4,12H,5H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate?
methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate has a molecular weight of 275.10 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-hydroxy-4-methoxyphenyl)acetate is sourced from PubChem (CID 11219575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).