ethyl 2-(3-bromo-4-ethylphenyl)acetate

C12H15BrO2 — CID 82643388

IUPACethyl 2-(3-bromo-4-ethylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(CC)c(Br)c1
InChIInChI=1S/C12H15BrO2/c1-3-10-6-5-9(7-11(10)13)8-12(14)15-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyFOWUBDOXOFWELF-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.12
Rot. Bonds4

About ethyl 2-(3-bromo-4-ethylphenyl)acetate

ethyl 2-(3-bromo-4-ethylphenyl)acetate (PubChem CID 82643388) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-ethylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-ethylphenyl)acetate
PubChem CID82643388
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Nameethyl 2-(3-bromo-4-ethylphenyl)acetate
SMILESCCOC(=O)Cc1ccc(CC)c(Br)c1
InChIInChI=1S/C12H15BrO2/c1-3-10-6-5-9(7-11(10)13)8-12(14)15-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyFOWUBDOXOFWELF-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-bromo-5-(2-ethoxy-2-oxoethyl)benzoate
CID 102237207
ethyl 2-(3-bromo-4-propan-2-ylsulfanylphenyl)acetate
CID 105426834
ethyl 2-[3-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134632852
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
ethane;ethyl 2-[3-(bromomethyl)phenyl]acetate;methanamine
CID 143592739
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 2-(4-acetyl-2-bromophenyl)acetate
CID 121231889
[(1S)-1-(3-bromo-4-ethylphenyl)-3-ethoxy-3-oxopropyl]azanium
CID 7046994
O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
CID 130051996
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399
ethyl 2-(3-iodo-4-methylphenyl)acetate
CID 134638159
ethyl 2-(3-amino-5-bromo-4-fluorophenyl)acetate
CID 171019379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-ethylphenyl)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-ethylphenyl)acetate (CID 82643388) is ethyl 2-(3-bromo-4-ethylphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-ethylphenyl)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-ethylphenyl)acetate is CCOC(=O)Cc1ccc(CC)c(Br)c1.
What is the InChIKey of ethyl 2-(3-bromo-4-ethylphenyl)acetate?
The InChIKey is FOWUBDOXOFWELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-3-10-6-5-9(7-11(10)13)8-12(14)15-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(3-bromo-4-ethylphenyl)acetate?
ethyl 2-(3-bromo-4-ethylphenyl)acetate has a molecular weight of 271.15 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-4-ethylphenyl)acetate is sourced from PubChem (CID 82643388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).