methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate

C12H9BrO5S — CID 18122133

IUPACmethyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrO5S/c1-16-12(15)10-7(4-5-17-10)6-18-11(14)8-2-3-9(13)19-8/h2-5H,6H2,1H3
InChIKeyFWGZQIHQJJMBSL-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.25
Rot. Bonds4

About methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate

methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate (PubChem CID 18122133) has the molecular formula C12H9BrO5S and a molecular weight of 345.17 g/mol. Its IUPAC name is methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
PubChem CID18122133
Molecular FormulaC12H9BrO5S
Molecular Weight345.17 g/mol
Exact Mass343.94
IUPAC Namemethyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrO5S/c1-16-12(15)10-7(4-5-17-10)6-18-11(14)8-2-3-9(13)19-8/h2-5H,6H2,1H3
InChIKeyFWGZQIHQJJMBSL-UHFFFAOYSA-N
XLogP3.25
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate 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

(2-methoxycarbonylfuran-3-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18169960
methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate
CID 18122246
methyl 3-[(2,5-dimethylbenzoyl)oxymethyl]furan-2-carboxylate
CID 55458733
methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
CID 62688268
but-2-ynyl 5-bromothiophene-2-carboxylate
CID 130718812
methyl 3-[(4-tert-butyl-3-nitrobenzoyl)oxymethyl]furan-2-carboxylate
CID 18122508
prop-2-ynyl 5-bromothiophene-2-carboxylate
CID 14126968
methyl 3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 18122257
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
CID 18085468
methyl 3-[(4-pyrazol-1-ylbenzoyl)oxymethyl]furan-2-carboxylate
CID 18122512
methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 55475256
methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate (CID 18122133) is methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate is COC(=O)c1occc1COC(=O)c1ccc(Br)s1.
What is the InChIKey of methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
The InChIKey is FWGZQIHQJJMBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO5S/c1-16-12(15)10-7(4-5-17-10)6-18-11(14)8-2-3-9(13)19-8/h2-5H,6H2,1H3.
What are the key properties of methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate?
methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate has a molecular weight of 345.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 18122133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).