3,5-dibromo-4-ethyl-2-hydroxybenzoic acid

C9H8Br2O3 — CID 118470102

IUPAC3,5-dibromo-4-ethyl-2-hydroxybenzoic acid
SMILESCCc1c(Br)cc(C(=O)O)c(O)c1Br
InChIInChI=1S/C9H8Br2O3/c1-2-4-6(10)3-5(9(13)14)8(12)7(4)11/h3,12H,2H2,1H3,(H,13,14)
InChIKeyOMYNVGUOQCGCAG-UHFFFAOYSA-N
MW323.97 g/mol
LogP3.18
Rot. Bonds2

About 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid

3,5-dibromo-4-ethyl-2-hydroxybenzoic acid (PubChem CID 118470102) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-4-ethyl-2-hydroxybenzoic acid
PubChem CID118470102
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Name3,5-dibromo-4-ethyl-2-hydroxybenzoic acid
SMILESCCc1c(Br)cc(C(=O)O)c(O)c1Br
InChIInChI=1S/C9H8Br2O3/c1-2-4-6(10)3-5(9(13)14)8(12)7(4)11/h3,12H,2H2,1H3,(H,13,14)
InChIKeyOMYNVGUOQCGCAG-UHFFFAOYSA-N
XLogP3.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131259334
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CID 84803245
2-bromo-3-ethyl-4-methylbenzoic acid
CID 123294230
3-ethyl-2,4-dihydroxy-5-nitrobenzoic acid
CID 139932551
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
5-bromo-4-ethyl-2-fluorobenzoic acid
CID 58909932
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
2,4-dibromo-3-hydroxybenzoic acid
CID 14851210
3,4-dibromo-2-ethyl-5,6-dihydroxybenzoic acid
CID 87860652
3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
4,6-diethyl-5-(hydroxymethyl)benzene-1,3-dicarboxylic acid
CID 172833570

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid?
The IUPAC name of 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid (CID 118470102) is 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid?
The canonical SMILES for 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid is CCc1c(Br)cc(C(=O)O)c(O)c1Br.
What is the InChIKey of 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid?
The InChIKey is OMYNVGUOQCGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-2-4-6(10)3-5(9(13)14)8(12)7(4)11/h3,12H,2H2,1H3,(H,13,14).
What are the key properties of 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid?
3,5-dibromo-4-ethyl-2-hydroxybenzoic acid has a molecular weight of 323.97 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-ethyl-2-hydroxybenzoic acid is sourced from PubChem (CID 118470102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).