ethyl 3-bromo-5-hydroxybenzoate

C9H9BrO3 — CID 11708561

IUPACethyl 3-bromo-5-hydroxybenzoate
SMILESCCOC(=O)c1cc(O)cc(Br)c1
InChIInChI=1S/C9H9BrO3/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,11H,2H2,1H3
InChIKeyGCHMYKMWYBHYSV-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.33
Rot. Bonds2

About ethyl 3-bromo-5-hydroxybenzoate

ethyl 3-bromo-5-hydroxybenzoate (PubChem CID 11708561) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is ethyl 3-bromo-5-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-bromo-5-hydroxybenzoate
PubChem CID11708561
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Nameethyl 3-bromo-5-hydroxybenzoate
SMILESCCOC(=O)c1cc(O)cc(Br)c1
InChIInChI=1S/C9H9BrO3/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,11H,2H2,1H3
InChIKeyGCHMYKMWYBHYSV-UHFFFAOYSA-N
XLogP2.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 3-bromo-5-[2-(3-bromo-5-ethoxycarbonylphenoxy)ethoxy]benzoate
CID 171595459
propyl 3-bromo-5-methylbenzoate
CID 115999532
ethyl 3-bromo-4,5-dihydroxybenzoate
CID 118096682
ethyl 3-[2-[4-[2-[4-[2-(3-ethoxycarbonyl-5-hydroxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]-5-hydroxybenzoate
CID 11577608
ethyl 3-bromo-5-(3-oxopropyl)benzoate
CID 134632899
ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 3-bromo-5-(3-chloro-2-oxopropyl)benzoate
CID 134632890
ethyl 3-bromo-5-(3-hydroxyprop-1-ynyl)benzoate
CID 11150254
ethyl 3-bromo-4-fluoro-5-hydroxybenzoate
CID 131014971
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712
ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
CID 134638917

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-5-hydroxybenzoate?
The IUPAC name of ethyl 3-bromo-5-hydroxybenzoate (CID 11708561) is ethyl 3-bromo-5-hydroxybenzoate.
What is the SMILES notation for ethyl 3-bromo-5-hydroxybenzoate?
The canonical SMILES for ethyl 3-bromo-5-hydroxybenzoate is CCOC(=O)c1cc(O)cc(Br)c1.
What is the InChIKey of ethyl 3-bromo-5-hydroxybenzoate?
The InChIKey is GCHMYKMWYBHYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,11H,2H2,1H3.
What are the key properties of ethyl 3-bromo-5-hydroxybenzoate?
ethyl 3-bromo-5-hydroxybenzoate has a molecular weight of 245.07 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-5-hydroxybenzoate is sourced from PubChem (CID 11708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).