(2,6-dibromo-4-hydroxyphenyl) acetate

C8H6Br2O3 — CID 70199950

IUPAC(2,6-dibromo-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1c(Br)cc(O)cc1Br
InChIInChI=1S/C8H6Br2O3/c1-4(11)13-8-6(9)2-5(12)3-7(8)10/h2-3,12H,1H3
InChIKeyRMLFETWDCBRWSE-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.84
Rot. Bonds1

About (2,6-dibromo-4-hydroxyphenyl) acetate

(2,6-dibromo-4-hydroxyphenyl) acetate (PubChem CID 70199950) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is (2,6-dibromo-4-hydroxyphenyl) acetate.

Molecular Properties

Compound Name(2,6-dibromo-4-hydroxyphenyl) acetate
PubChem CID70199950
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name(2,6-dibromo-4-hydroxyphenyl) acetate
SMILESCC(=O)Oc1c(Br)cc(O)cc1Br
InChIInChI=1S/C8H6Br2O3/c1-4(11)13-8-6(9)2-5(12)3-7(8)10/h2-3,12H,1H3
InChIKeyRMLFETWDCBRWSE-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.84
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

[2,6-dibromo-4-(3,5-dibromo-4-methoxyphenyl)sulfonylphenyl] acetate
CID 59745424
(2-acetyloxy-3-bromo-5-isocyanatophenyl) acetate
CID 15173723
2-acetyloxy-3-bromo-5-ethylbenzoic acid
CID 50883031
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
(3-bromo-2,6-dimethylphenyl) acetate
CID 154301591
(2,6-dihydroxyphenyl) acetate
CID 19910305
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
[2,6-dibromo-4-(2-ethyl-4,5,6,7-tetrahydroxy-1-benzofuran-3-carbonyl)phenyl] acetate
CID 146659751
4-[(4-acetyloxy-3,5-dibromobenzoyl)amino]-3-bromo-5-methylbenzoic acid
CID 175057658
(6-bromo-2-fluoro-3-methylphenyl) acetate
CID 130643220
1-(2-bromo-4-hydroxy-6-methylphenyl)ethanone
CID 131623551
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-hydroxyphenyl) acetate?
The IUPAC name of (2,6-dibromo-4-hydroxyphenyl) acetate (CID 70199950) is (2,6-dibromo-4-hydroxyphenyl) acetate.
What is the SMILES notation for (2,6-dibromo-4-hydroxyphenyl) acetate?
The canonical SMILES for (2,6-dibromo-4-hydroxyphenyl) acetate is CC(=O)Oc1c(Br)cc(O)cc1Br.
What is the InChIKey of (2,6-dibromo-4-hydroxyphenyl) acetate?
The InChIKey is RMLFETWDCBRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-4(11)13-8-6(9)2-5(12)3-7(8)10/h2-3,12H,1H3.
What are the key properties of (2,6-dibromo-4-hydroxyphenyl) acetate?
(2,6-dibromo-4-hydroxyphenyl) acetate has a molecular weight of 309.94 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-hydroxyphenyl) acetate is sourced from PubChem (CID 70199950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).