2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid

C10H11BrO4 — CID 84714045

IUPAC2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
SMILESCCc1cc(OC)c(O)c(C(=O)O)c1Br
InChIInChI=1S/C10H11BrO4/c1-3-5-4-6(15-2)9(12)7(8(5)11)10(13)14/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyKXRSDFWCYJXFHG-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid

2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid (PubChem CID 84714045) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
PubChem CID84714045
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
SMILESCCc1cc(OC)c(O)c(C(=O)O)c1Br
InChIInChI=1S/C10H11BrO4/c1-3-5-4-6(15-2)9(12)7(8(5)11)10(13)14/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyKXRSDFWCYJXFHG-UHFFFAOYSA-N
XLogP2.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
3-bromo-2,6-dihydroxy-4-methoxybenzoic acid
CID 139704344
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid (CID 84714045) is 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid is CCc1cc(OC)c(O)c(C(=O)O)c1Br.
What is the InChIKey of 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid?
The InChIKey is KXRSDFWCYJXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-3-5-4-6(15-2)9(12)7(8(5)11)10(13)14/h4,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid?
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid has a molecular weight of 275.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 84714045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).