2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate

C11H11BrO5 — CID 143324799

IUPAC2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate
SMILESCOCCOC(=O)c1cc(C=O)cc(Br)c1O
InChIInChI=1S/C11H11BrO5/c1-16-2-3-17-11(15)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,2-3H2,1H3
InChIKeyRRNUNWAJMPIQFJ-UHFFFAOYSA-N
MW303.11 g/mol
LogP1.77
Rot. Bonds5

About 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate

2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate (PubChem CID 143324799) has the molecular formula C11H11BrO5 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate
PubChem CID143324799
Molecular FormulaC11H11BrO5
Molecular Weight303.11 g/mol
Exact Mass301.98
IUPAC Name2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate
SMILESCOCCOC(=O)c1cc(C=O)cc(Br)c1O
InChIInChI=1S/C11H11BrO5/c1-16-2-3-17-11(15)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,2-3H2,1H3
InChIKeyRRNUNWAJMPIQFJ-UHFFFAOYSA-N
XLogP1.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
methyl 3-bromo-2-chloro-5-formylbenzoate
CID 171024239
ethyl 5-formyl-2-hydroxy-3-methoxybenzoate
CID 76851767
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
3-bromo-5-butoxy-4-hydroxybenzaldehyde
CID 102132609
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282
methyl 3-bromo-5-formyl-2-prop-2-enoxybenzoate
CID 155369523
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
5-bromo-6-(2-methoxyethoxy)pyridine-3-carbaldehyde
CID 141397740
2-methoxyethyl 4-bromo-2-sulfanylbenzoate
CID 107018497
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate?
The IUPAC name of 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate (CID 143324799) is 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate.
What is the SMILES notation for 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate?
The canonical SMILES for 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate is COCCOC(=O)c1cc(C=O)cc(Br)c1O.
What is the InChIKey of 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate?
The InChIKey is RRNUNWAJMPIQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO5/c1-16-2-3-17-11(15)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,2-3H2,1H3.
What are the key properties of 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate?
2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate has a molecular weight of 303.11 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-bromo-5-formyl-2-hydroxybenzoate is sourced from PubChem (CID 143324799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).