methyl 3,5-dibromo-4-hydroxybenzoate

C8H6Br2O3 — CID 726975

IUPACmethyl 3,5-dibromo-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
InChIKeyNVGJGYZKXBLIKY-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.70
Rot. Bonds1

About methyl 3,5-dibromo-4-hydroxybenzoate

methyl 3,5-dibromo-4-hydroxybenzoate (PubChem CID 726975) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is methyl 3,5-dibromo-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3,5-dibromo-4-hydroxybenzoate
PubChem CID726975
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Namemethyl 3,5-dibromo-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
InChIKeyNVGJGYZKXBLIKY-UHFFFAOYSA-N
XLogP2.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dibromo-4-hydroxybenzoate?
The IUPAC name of methyl 3,5-dibromo-4-hydroxybenzoate (CID 726975) is methyl 3,5-dibromo-4-hydroxybenzoate.
What is the SMILES notation for methyl 3,5-dibromo-4-hydroxybenzoate?
The canonical SMILES for methyl 3,5-dibromo-4-hydroxybenzoate is COC(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of methyl 3,5-dibromo-4-hydroxybenzoate?
The InChIKey is NVGJGYZKXBLIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3.
What are the key properties of methyl 3,5-dibromo-4-hydroxybenzoate?
methyl 3,5-dibromo-4-hydroxybenzoate has a molecular weight of 309.94 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dibromo-4-hydroxybenzoate is sourced from PubChem (CID 726975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).