ethyl 2-bromo-5-ethylbenzoate

C11H13BrO2 — CID 91882232

IUPACethyl 2-bromo-5-ethylbenzoate
SMILESCCOC(=O)c1cc(CC)ccc1Br
InChIInChI=1S/C11H13BrO2/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyHBZZGEKMGJFGRD-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.19
Rot. Bonds3

About ethyl 2-bromo-5-ethylbenzoate

ethyl 2-bromo-5-ethylbenzoate (PubChem CID 91882232) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is ethyl 2-bromo-5-ethylbenzoate.

Molecular Properties

Compound Nameethyl 2-bromo-5-ethylbenzoate
PubChem CID91882232
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Nameethyl 2-bromo-5-ethylbenzoate
SMILESCCOC(=O)c1cc(CC)ccc1Br
InChIInChI=1S/C11H13BrO2/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h5-7H,3-4H2,1-2H3
InChIKeyHBZZGEKMGJFGRD-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-bromo-5-(bromomethyl)benzoate
CID 70701035
ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207
3-(4-bromo-3-ethoxycarbonylphenyl)propanoic acid
CID 134631967
ethyl 2-bromo-5-(3-chloropropyl)benzoate
CID 134631982
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
ethyl 2-bromo-5-chlorosulfanylbenzoate
CID 144588362
ethyl 2-bromo-5-ethylsulfanylbenzoate
CID 91876306
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
2-(2-ethoxycarbonyl-5-ethylbenzoyl)oxyacetic acid
CID 101299980
2-(2-ethoxycarbonyl-4-ethylbenzoyl)oxyacetic acid
CID 101299981

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-5-ethylbenzoate?
The IUPAC name of ethyl 2-bromo-5-ethylbenzoate (CID 91882232) is ethyl 2-bromo-5-ethylbenzoate.
What is the SMILES notation for ethyl 2-bromo-5-ethylbenzoate?
The canonical SMILES for ethyl 2-bromo-5-ethylbenzoate is CCOC(=O)c1cc(CC)ccc1Br.
What is the InChIKey of ethyl 2-bromo-5-ethylbenzoate?
The InChIKey is HBZZGEKMGJFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-3-8-5-6-10(12)9(7-8)11(13)14-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-bromo-5-ethylbenzoate?
ethyl 2-bromo-5-ethylbenzoate has a molecular weight of 257.13 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-5-ethylbenzoate is sourced from PubChem (CID 91882232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).