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

C10H11BrO3 — CID 50882139

IUPAC3-bromo-5-ethyl-2-methoxybenzoic acid
SMILESCCc1cc(Br)c(OC)c(C(=O)O)c1
InChIInChI=1S/C10H11BrO3/c1-3-6-4-7(10(12)13)9(14-2)8(11)5-6/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyUMAWBGQDMAYFRE-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.72
Rot. Bonds3

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

3-bromo-5-ethyl-2-methoxybenzoic acid (PubChem CID 50882139) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-bromo-5-ethyl-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-bromo-5-ethyl-2-methoxybenzoic acid
PubChem CID50882139
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-bromo-5-ethyl-2-methoxybenzoic acid
SMILESCCc1cc(Br)c(OC)c(C(=O)O)c1
InChIInChI=1S/C10H11BrO3/c1-3-6-4-7(10(12)13)9(14-2)8(11)5-6/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyUMAWBGQDMAYFRE-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyloxy-3-bromo-5-ethylbenzoic acid
CID 50883031
3,5-dibromo-2-methoxybenzoic acid
CID 643392
(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882665
5-ethyl-2-methoxybenzoic acid
CID 20721149
3,5-dibromo-2-(3-ethyl-5-methylbenzoyl)oxybenzoic acid
CID 177194260
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923
N-(1-benzylpiperidin-4-yl)-3-bromo-5-ethyl-2-methoxybenzamide
CID 15167709
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184298
1-[3-bromo-2-(2-bromoethoxy)-5-ethylphenyl]ethanone
CID 143948636
2-(3,5-dibromo-4-methoxyphenyl)acetyl chloride
CID 18184515

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-2-methoxybenzoic acid?
The IUPAC name of 3-bromo-5-ethyl-2-methoxybenzoic acid (CID 50882139) is 3-bromo-5-ethyl-2-methoxybenzoic acid.
What is the SMILES notation for 3-bromo-5-ethyl-2-methoxybenzoic acid?
The canonical SMILES for 3-bromo-5-ethyl-2-methoxybenzoic acid is CCc1cc(Br)c(OC)c(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-ethyl-2-methoxybenzoic acid?
The InChIKey is UMAWBGQDMAYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-3-6-4-7(10(12)13)9(14-2)8(11)5-6/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-5-ethyl-2-methoxybenzoic acid?
3-bromo-5-ethyl-2-methoxybenzoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-2-methoxybenzoic acid is sourced from PubChem (CID 50882139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).