ethyl 2-(2-bromophenoxy)acetate

C10H11BrO3 — CID 3310995

IUPACethyl 2-(2-bromophenoxy)acetate
SMILESCCOC(=O)COc1ccccc1Br
InChIInChI=1S/C10H11BrO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeySXAYUOHZYFAJHK-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.39
Rot. Bonds4

About ethyl 2-(2-bromophenoxy)acetate

ethyl 2-(2-bromophenoxy)acetate (PubChem CID 3310995) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-(2-bromophenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenoxy)acetate
PubChem CID3310995
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Nameethyl 2-(2-bromophenoxy)acetate
SMILESCCOC(=O)COc1ccccc1Br
InChIInChI=1S/C10H11BrO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3
InChIKeySXAYUOHZYFAJHK-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenoxy)acetate?
The IUPAC name of ethyl 2-(2-bromophenoxy)acetate (CID 3310995) is ethyl 2-(2-bromophenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-bromophenoxy)acetate?
The canonical SMILES for ethyl 2-(2-bromophenoxy)acetate is CCOC(=O)COc1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenoxy)acetate?
The InChIKey is SXAYUOHZYFAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(2-bromophenoxy)acetate?
ethyl 2-(2-bromophenoxy)acetate has a molecular weight of 259.10 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenoxy)acetate is sourced from PubChem (CID 3310995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).