ethyl 4-bromo-2-(methoxymethyl)benzoate

C11H13BrO3 — CID 141482166

IUPACethyl 4-bromo-2-(methoxymethyl)benzoate
SMILESCCOC(=O)c1ccc(Br)cc1COC
InChIInChI=1S/C11H13BrO3/c1-3-15-11(13)10-5-4-9(12)6-8(10)7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyQRCGLECXFLWRNU-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.77
Rot. Bonds4

About ethyl 4-bromo-2-(methoxymethyl)benzoate

ethyl 4-bromo-2-(methoxymethyl)benzoate (PubChem CID 141482166) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is ethyl 4-bromo-2-(methoxymethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-bromo-2-(methoxymethyl)benzoate
PubChem CID141482166
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Nameethyl 4-bromo-2-(methoxymethyl)benzoate
SMILESCCOC(=O)c1ccc(Br)cc1COC
InChIInChI=1S/C11H13BrO3/c1-3-15-11(13)10-5-4-9(12)6-8(10)7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyQRCGLECXFLWRNU-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 3-bromo-4-(methoxymethyl)benzoate
CID 81430155
ethyl 5-bromo-2-(3-bromopropanoyl)benzoate
CID 134633526
ethyl 5-bromo-2-(3-bromopropyl)benzoate
CID 134633528
ethyl 2-(methoxymethyl)-5-methylsulfanylbenzoate
CID 91881292
ethyl 5-bromo-2-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 10065821
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 5-bromo-2-(1-bromoethyl)benzoate
CID 174594973
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-2-(methoxymethyl)benzoate?
The IUPAC name of ethyl 4-bromo-2-(methoxymethyl)benzoate (CID 141482166) is ethyl 4-bromo-2-(methoxymethyl)benzoate.
What is the SMILES notation for ethyl 4-bromo-2-(methoxymethyl)benzoate?
The canonical SMILES for ethyl 4-bromo-2-(methoxymethyl)benzoate is CCOC(=O)c1ccc(Br)cc1COC.
What is the InChIKey of ethyl 4-bromo-2-(methoxymethyl)benzoate?
The InChIKey is QRCGLECXFLWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-3-15-11(13)10-5-4-9(12)6-8(10)7-14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 4-bromo-2-(methoxymethyl)benzoate?
ethyl 4-bromo-2-(methoxymethyl)benzoate has a molecular weight of 273.13 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-2-(methoxymethyl)benzoate is sourced from PubChem (CID 141482166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).