methyl 3-bromo-5-ethoxy-2-hydroxybenzoate

C10H11BrO4 — CID 90416815

IUPACmethyl 3-bromo-5-ethoxy-2-hydroxybenzoate
SMILESCCOc1cc(Br)c(O)c(C(=O)OC)c1
InChIInChI=1S/C10H11BrO4/c1-3-15-6-4-7(10(13)14-2)9(12)8(11)5-6/h4-5,12H,3H2,1-2H3
InChIKeyQPLRFNACQWYUAQ-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-bromo-5-ethoxy-2-hydroxybenzoate

methyl 3-bromo-5-ethoxy-2-hydroxybenzoate (PubChem CID 90416815) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is methyl 3-bromo-5-ethoxy-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-5-ethoxy-2-hydroxybenzoate
PubChem CID90416815
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Namemethyl 3-bromo-5-ethoxy-2-hydroxybenzoate
SMILESCCOc1cc(Br)c(O)c(C(=O)OC)c1
InChIInChI=1S/C10H11BrO4/c1-3-15-6-4-7(10(13)14-2)9(12)8(11)5-6/h4-5,12H,3H2,1-2H3
InChIKeyQPLRFNACQWYUAQ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
methyl 2-(bromomethyl)-5-ethoxybenzoate
CID 86723822
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
methyl 2-bromo-5-ethoxy-4-methylbenzoate
CID 175048680
methyl 4-ethoxy-2,6-dimethylbenzoate
CID 82552476
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843
methyl 3,4-diamino-5-bromo-2-hydroxybenzoate
CID 23046711
methyl 2-ethenyl-5-ethoxybenzoate
CID 45094065
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
methyl 2-bromo-5-chloro-4-[(4-ethoxyphenyl)methyl]benzoate
CID 89453336

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-ethoxy-2-hydroxybenzoate?
The IUPAC name of methyl 3-bromo-5-ethoxy-2-hydroxybenzoate (CID 90416815) is methyl 3-bromo-5-ethoxy-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-bromo-5-ethoxy-2-hydroxybenzoate?
The canonical SMILES for methyl 3-bromo-5-ethoxy-2-hydroxybenzoate is CCOc1cc(Br)c(O)c(C(=O)OC)c1.
What is the InChIKey of methyl 3-bromo-5-ethoxy-2-hydroxybenzoate?
The InChIKey is QPLRFNACQWYUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-3-15-6-4-7(10(13)14-2)9(12)8(11)5-6/h4-5,12H,3H2,1-2H3.
What are the key properties of methyl 3-bromo-5-ethoxy-2-hydroxybenzoate?
methyl 3-bromo-5-ethoxy-2-hydroxybenzoate has a molecular weight of 275.10 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-ethoxy-2-hydroxybenzoate is sourced from PubChem (CID 90416815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).