2-bromo-6-(2-ethoxyethoxy)benzoic acid

C11H13BrO4 — CID 114888580

IUPAC2-bromo-6-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1cccc(Br)c1C(=O)O
InChIInChI=1S/C11H13BrO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyROOLEWFYBPCXQH-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.56
Rot. Bonds6

About 2-bromo-6-(2-ethoxyethoxy)benzoic acid

2-bromo-6-(2-ethoxyethoxy)benzoic acid (PubChem CID 114888580) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-bromo-6-(2-ethoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(2-ethoxyethoxy)benzoic acid
PubChem CID114888580
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name2-bromo-6-(2-ethoxyethoxy)benzoic acid
SMILESCCOCCOc1cccc(Br)c1C(=O)O
InChIInChI=1S/C11H13BrO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyROOLEWFYBPCXQH-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

2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-bromo-6-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741107
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
2-chloro-6-(ethoxymethoxy)benzoic acid
CID 114320348
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
N-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 54790974
2-bromo-6-[4-(2-methoxyethyl)phenoxy]benzoic acid
CID 114888627

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-ethoxyethoxy)benzoic acid?
The IUPAC name of 2-bromo-6-(2-ethoxyethoxy)benzoic acid (CID 114888580) is 2-bromo-6-(2-ethoxyethoxy)benzoic acid.
What is the SMILES notation for 2-bromo-6-(2-ethoxyethoxy)benzoic acid?
The canonical SMILES for 2-bromo-6-(2-ethoxyethoxy)benzoic acid is CCOCCOc1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-(2-ethoxyethoxy)benzoic acid?
The InChIKey is ROOLEWFYBPCXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-2-15-6-7-16-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-bromo-6-(2-ethoxyethoxy)benzoic acid?
2-bromo-6-(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 2-bromo-6-(2-ethoxyethoxy)benzoic acid is sourced from PubChem (CID 114888580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).