4-chloro-2-(2,4-dibromophenoxy)butanoate

C10H8Br2ClO3- — CID 57361990

IUPAC4-chloro-2-(2,4-dibromophenoxy)butanoate
SMILESO=C([O-])C(CCCl)Oc1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2ClO3/c11-6-1-2-8(7(12)5-6)16-9(3-4-13)10(14)15/h1-2,5,9H,3-4H2,(H,14,15)/p-1
InChIKeyLMXHNLURCFHPNB-UHFFFAOYSA-M
MW371.43 g/mol
LogP2.34
Rot. Bonds5

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

4-chloro-2-(2,4-dibromophenoxy)butanoate (PubChem CID 57361990) has the molecular formula C10H8Br2ClO3- and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dibromophenoxy)butanoate.

Molecular Properties

Compound Name4-chloro-2-(2,4-dibromophenoxy)butanoate
PubChem CID57361990
Molecular FormulaC10H8Br2ClO3-
Molecular Weight371.43 g/mol
Exact Mass368.85
IUPAC Name4-chloro-2-(2,4-dibromophenoxy)butanoate
SMILESO=C([O-])C(CCCl)Oc1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2ClO3/c11-6-1-2-8(7(12)5-6)16-9(3-4-13)10(14)15/h1-2,5,9H,3-4H2,(H,14,15)/p-1
InChIKeyLMXHNLURCFHPNB-UHFFFAOYSA-M
XLogP2.34
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
(2,4-dibromophenyl) 2-hydroxyacetate
CID 130668337
bis(2,4-dibromophenyl) carbonate
CID 54492294
sodium (2S)-2-(4-bromo-2-cyclopropylphenoxy)-3-methoxypropanoate
CID 155744261
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
(2S)-2-cyclopropyl-2-(2,4-dibromophenoxy)acetic acid
CID 138684182
sodium 2-(4-bromo-2-cyclopropylphenoxy)-3-ethoxypropanoate
CID 155413259
sodium (2S)-2-(4-bromo-2-cyclobutylphenoxy)-3-methoxypropanoate
CID 155744262
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
3-bromo-4-(1-carboxypropoxy)benzoic acid
CID 64662563
(2,4-dibromophenyl) carbonofluoridate
CID 165349274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dibromophenoxy)butanoate?
The IUPAC name of 4-chloro-2-(2,4-dibromophenoxy)butanoate (CID 57361990) is 4-chloro-2-(2,4-dibromophenoxy)butanoate.
What is the SMILES notation for 4-chloro-2-(2,4-dibromophenoxy)butanoate?
The canonical SMILES for 4-chloro-2-(2,4-dibromophenoxy)butanoate is O=C([O-])C(CCCl)Oc1ccc(Br)cc1Br.
What is the InChIKey of 4-chloro-2-(2,4-dibromophenoxy)butanoate?
The InChIKey is LMXHNLURCFHPNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9Br2ClO3/c11-6-1-2-8(7(12)5-6)16-9(3-4-13)10(14)15/h1-2,5,9H,3-4H2,(H,14,15)/p-1.
What are the key properties of 4-chloro-2-(2,4-dibromophenoxy)butanoate?
4-chloro-2-(2,4-dibromophenoxy)butanoate has a molecular weight of 371.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dibromophenoxy)butanoate is sourced from PubChem (CID 57361990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).