5-bromo-2-(2-ethoxyethoxy)benzoic acid

C11H13BrO4 — CID 43387801

IUPAC5-bromo-2-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H13BrO4/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyUEBJDJNZIPBRCB-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.56
Rot. Bonds6

About 5-bromo-2-(2-ethoxyethoxy)benzoic acid

5-bromo-2-(2-ethoxyethoxy)benzoic acid (PubChem CID 43387801) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxyethoxy)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxyethoxy)benzoic acid
PubChem CID43387801
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name5-bromo-2-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H13BrO4/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyUEBJDJNZIPBRCB-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61484672
5-bromo-2-nonoxybenzoic acid
CID 43129492
5-bromo-2-[3-(dimethylamino)-3-oxopropoxy]benzoic acid
CID 54879103
5-bromo-2-[3-(2-ethoxyethoxy)benzoyl]oxybenzoic acid
CID 54854445
5-bromo-2-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62326683
5-bromo-2-(2-methylprop-2-enoxy)benzoic acid
CID 103604045
5-bromo-2-[2-[di(propan-2-yl)amino]-2-oxoethoxy]benzoic acid
CID 103601812
5-bromo-2-[2-(2-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 22683649
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-2-(2-tert-butylsulfonylethoxy)benzoic acid
CID 103696888
2-[[5-bromo-2-(2-ethoxyethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036938

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxyethoxy)benzoic acid?
The IUPAC name of 5-bromo-2-(2-ethoxyethoxy)benzoic acid (CID 43387801) is 5-bromo-2-(2-ethoxyethoxy)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2-ethoxyethoxy)benzoic acid?
The canonical SMILES for 5-bromo-2-(2-ethoxyethoxy)benzoic acid is CCOCCOc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(2-ethoxyethoxy)benzoic acid?
The InChIKey is UEBJDJNZIPBRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-2-15-5-6-16-10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-(2-ethoxyethoxy)benzoic acid?
5-bromo-2-(2-ethoxyethoxy)benzoic acid has a molecular weight of 289.12 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxyethoxy)benzoic acid is sourced from PubChem (CID 43387801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).