ethyl 2-(2,4-dibromophenoxy)butanoate

C12H14Br2O3 — CID 60730897

IUPACethyl 2-(2,4-dibromophenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2O3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4H2,1-2H3
InChIKeyNMLCVZOMBIJQAB-UHFFFAOYSA-N
MW366.05 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-(2,4-dibromophenoxy)butanoate

ethyl 2-(2,4-dibromophenoxy)butanoate (PubChem CID 60730897) has the molecular formula C12H14Br2O3 and a molecular weight of 366.05 g/mol. Its IUPAC name is ethyl 2-(2,4-dibromophenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dibromophenoxy)butanoate
PubChem CID60730897
Molecular FormulaC12H14Br2O3
Molecular Weight366.05 g/mol
Exact Mass363.93
IUPAC Nameethyl 2-(2,4-dibromophenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2O3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4H2,1-2H3
InChIKeyNMLCVZOMBIJQAB-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-acetyl-4-bromophenoxy)butanoate
CID 64661751
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
ethyl 2-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanoate
CID 83040549
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
ethyl 2-(4-bromo-2-formylphenoxy)pentanoate
CID 83041354
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
3-bromo-4-(1-carboxypropoxy)benzoic acid
CID 64662563
4-chloro-2-(2,4-dibromophenoxy)butanoate
CID 57361990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dibromophenoxy)butanoate?
The IUPAC name of ethyl 2-(2,4-dibromophenoxy)butanoate (CID 60730897) is ethyl 2-(2,4-dibromophenoxy)butanoate.
What is the SMILES notation for ethyl 2-(2,4-dibromophenoxy)butanoate?
The canonical SMILES for ethyl 2-(2,4-dibromophenoxy)butanoate is CCOC(=O)C(CC)Oc1ccc(Br)cc1Br.
What is the InChIKey of ethyl 2-(2,4-dibromophenoxy)butanoate?
The InChIKey is NMLCVZOMBIJQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O3/c1-3-10(12(15)16-4-2)17-11-6-5-8(13)7-9(11)14/h5-7,10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dibromophenoxy)butanoate?
ethyl 2-(2,4-dibromophenoxy)butanoate has a molecular weight of 366.05 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dibromophenoxy)butanoate is sourced from PubChem (CID 60730897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).