(2,4-dibromophenyl) 2-hydroxyacetate

C8H6Br2O3 — CID 130668337

IUPAC(2,4-dibromophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-8(12)4-11/h1-3,11H,4H2
InChIKeyOPGBFBJODVBQFV-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.11
Rot. Bonds2

About (2,4-dibromophenyl) 2-hydroxyacetate

(2,4-dibromophenyl) 2-hydroxyacetate (PubChem CID 130668337) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is (2,4-dibromophenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2,4-dibromophenyl) 2-hydroxyacetate
PubChem CID130668337
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name(2,4-dibromophenyl) 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc(Br)cc1Br
InChIInChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-8(12)4-11/h1-3,11H,4H2
InChIKeyOPGBFBJODVBQFV-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2,4-dibromophenyl) carbonate
CID 54492294
(2,4-dibromophenyl) carbonofluoridate
CID 165349274
5-bromo-2-[2-(2,4-dibromophenoxy)acetyl]oxybenzoic acid
CID 54854409
(2,4-dibromophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012557
(2,4-dibromophenyl) cyclopropanecarboxylate
CID 836257
(3-bromophenyl) 2-hydroxyacetate
CID 130732790
(2,4-dibromophenyl) N-ethenylcarbamate
CID 71409205
(2,5-dibromophenyl) 2-chloroacetate
CID 122539584
naphthalen-1-yl 2-(2,4-dibromophenoxy)acetate
CID 23010996
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
(2,4-dibromophenyl) 4-benzoylbenzoate
CID 2316078

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl) 2-hydroxyacetate?
The IUPAC name of (2,4-dibromophenyl) 2-hydroxyacetate (CID 130668337) is (2,4-dibromophenyl) 2-hydroxyacetate.
What is the SMILES notation for (2,4-dibromophenyl) 2-hydroxyacetate?
The canonical SMILES for (2,4-dibromophenyl) 2-hydroxyacetate is O=C(CO)Oc1ccc(Br)cc1Br.
What is the InChIKey of (2,4-dibromophenyl) 2-hydroxyacetate?
The InChIKey is OPGBFBJODVBQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c9-5-1-2-7(6(10)3-5)13-8(12)4-11/h1-3,11H,4H2.
What are the key properties of (2,4-dibromophenyl) 2-hydroxyacetate?
(2,4-dibromophenyl) 2-hydroxyacetate has a molecular weight of 309.94 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl) 2-hydroxyacetate is sourced from PubChem (CID 130668337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).