ethyl 2-bromo-4-methoxybenzoate

C10H11BrO3 — CID 46311272

IUPACethyl 2-bromo-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)cc1Br
InChIInChI=1S/C10H11BrO3/c1-3-14-10(12)8-5-4-7(13-2)6-9(8)11/h4-6H,3H2,1-2H3
InChIKeyDNHZXEKYPIUSJI-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.63
Rot. Bonds3

About ethyl 2-bromo-4-methoxybenzoate

ethyl 2-bromo-4-methoxybenzoate (PubChem CID 46311272) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-bromo-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-4-methoxybenzoate
PubChem CID46311272
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl 2-bromo-4-methoxybenzoate
SMILESCCOC(=O)c1ccc(OC)cc1Br
InChIInChI=1S/C10H11BrO3/c1-3-14-10(12)8-5-4-7(13-2)6-9(8)11/h4-6H,3H2,1-2H3
InChIKeyDNHZXEKYPIUSJI-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 2-bromo-4-(4-methoxyphenyl)sulfanylbenzoate
CID 91879101
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
ethyl 4-(2-bromo-4-methoxyphenyl)-4-oxobutanoate
CID 57424263
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-bromo-4-methylsulfanylbenzoate
CID 91880743
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
ethyl 2-bromo-5-[(4-methoxyphenyl)methoxy]-4-methylbenzoate
CID 58334561
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
ethane;ethyl 4-bromo-3-methoxy-2-methylbenzoate
CID 144722957
ethyl 2-bromo-4-(3-bromo-2-oxopropyl)benzoate
CID 134631934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-methoxybenzoate?
The IUPAC name of ethyl 2-bromo-4-methoxybenzoate (CID 46311272) is ethyl 2-bromo-4-methoxybenzoate.
What is the SMILES notation for ethyl 2-bromo-4-methoxybenzoate?
The canonical SMILES for ethyl 2-bromo-4-methoxybenzoate is CCOC(=O)c1ccc(OC)cc1Br.
What is the InChIKey of ethyl 2-bromo-4-methoxybenzoate?
The InChIKey is DNHZXEKYPIUSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-3-14-10(12)8-5-4-7(13-2)6-9(8)11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-bromo-4-methoxybenzoate?
ethyl 2-bromo-4-methoxybenzoate has a molecular weight of 259.10 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-methoxybenzoate is sourced from PubChem (CID 46311272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).