(4,5-dibromofuran-2-yl) ethyl carbonate

C7H6Br2O4 — CID 67425918

IUPAC(4,5-dibromofuran-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2O4/c1-2-11-7(10)13-5-3-4(8)6(9)12-5/h3H,2H2,1H3
InChIKeyVVZKPVBWEJSQLI-UHFFFAOYSA-N
MW313.93 g/mol
LogP3.34
Rot. Bonds2

About (4,5-dibromofuran-2-yl) ethyl carbonate

(4,5-dibromofuran-2-yl) ethyl carbonate (PubChem CID 67425918) has the molecular formula C7H6Br2O4 and a molecular weight of 313.93 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl) ethyl carbonate
PubChem CID67425918
Molecular FormulaC7H6Br2O4
Molecular Weight313.93 g/mol
Exact Mass311.86
IUPAC Name(4,5-dibromofuran-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(Br)c(Br)o1
InChIInChI=1S/C7H6Br2O4/c1-2-11-7(10)13-5-3-4(8)6(9)12-5/h3H,2H2,1H3
InChIKeyVVZKPVBWEJSQLI-UHFFFAOYSA-N
XLogP3.34
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.93
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,5-dibromofuran-2-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
(3-ethoxycarbonyloxy-5,8-dioxonaphthalen-2-yl) ethyl carbonate
CID 70348479
(2-acetyl-4-bromophenyl) ethyl carbonate
CID 53429860
[4-(3-cyano-5-fluorophenyl)-5-(3-cyanophenyl)furan-2-yl] ethyl carbonate
CID 67432728
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate
CID 67426220
CID 175796855
CID 175796855
(2,4-dioxo-1,3-benzoxazin-6-yl) ethyl carbonate
CID 165352900
ethyl [3,8,9-tris(ethoxycarbonyloxy)-2-tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),2,4,6,8,10(14),11-heptaenyl] carbonate
CID 140957707
ethyl 5,7-dibromo-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 10948842

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl) ethyl carbonate?
The IUPAC name of (4,5-dibromofuran-2-yl) ethyl carbonate (CID 67425918) is (4,5-dibromofuran-2-yl) ethyl carbonate.
What is the SMILES notation for (4,5-dibromofuran-2-yl) ethyl carbonate?
The canonical SMILES for (4,5-dibromofuran-2-yl) ethyl carbonate is CCOC(=O)Oc1cc(Br)c(Br)o1.
What is the InChIKey of (4,5-dibromofuran-2-yl) ethyl carbonate?
The InChIKey is VVZKPVBWEJSQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2O4/c1-2-11-7(10)13-5-3-4(8)6(9)12-5/h3H,2H2,1H3.
What are the key properties of (4,5-dibromofuran-2-yl) ethyl carbonate?
(4,5-dibromofuran-2-yl) ethyl carbonate has a molecular weight of 313.93 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl) ethyl carbonate is sourced from PubChem (CID 67425918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).