methyl 4-(3-bromophenyl)furan-2-carboxylate

C12H9BrO3 — CID 117222845

IUPACmethyl 4-(3-bromophenyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Br)c2)co1
InChIInChI=1S/C12H9BrO3/c1-15-12(14)11-6-9(7-16-11)8-3-2-4-10(13)5-8/h2-7H,1H3
InChIKeyUHZIUXGVVHTQCL-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.50
Rot. Bonds2

About methyl 4-(3-bromophenyl)furan-2-carboxylate

methyl 4-(3-bromophenyl)furan-2-carboxylate (PubChem CID 117222845) has the molecular formula C12H9BrO3 and a molecular weight of 281.11 g/mol. Its IUPAC name is methyl 4-(3-bromophenyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-bromophenyl)furan-2-carboxylate
PubChem CID117222845
Molecular FormulaC12H9BrO3
Molecular Weight281.11 g/mol
Exact Mass279.97
IUPAC Namemethyl 4-(3-bromophenyl)furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(Br)c2)co1
InChIInChI=1S/C12H9BrO3/c1-15-12(14)11-6-9(7-16-11)8-3-2-4-10(13)5-8/h2-7H,1H3
InChIKeyUHZIUXGVVHTQCL-UHFFFAOYSA-N
XLogP3.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143
methyl 3-(3-bromophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 82135015
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
methyl 5-[[3,5-bis(3-bromophenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19586233
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
methyl 2-(3-bromophenyl)-6-chloropyrimidine-4-carboxylate
CID 116862374
(5-methoxycarbonylfuran-3-yl)oxyboronic acid
CID 177305601
methyl 2-(3-bromophenyl)-1,3-benzoxazole-5-carboxylate
CID 91682443
methyl 4-(3-bromophenyl)-5-chloro-2-iodobenzoate
CID 170096344
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-bromophenyl)furan-2-carboxylate?
The IUPAC name of methyl 4-(3-bromophenyl)furan-2-carboxylate (CID 117222845) is methyl 4-(3-bromophenyl)furan-2-carboxylate.
What is the SMILES notation for methyl 4-(3-bromophenyl)furan-2-carboxylate?
The canonical SMILES for methyl 4-(3-bromophenyl)furan-2-carboxylate is COC(=O)c1cc(-c2cccc(Br)c2)co1.
What is the InChIKey of methyl 4-(3-bromophenyl)furan-2-carboxylate?
The InChIKey is UHZIUXGVVHTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO3/c1-15-12(14)11-6-9(7-16-11)8-3-2-4-10(13)5-8/h2-7H,1H3.
What are the key properties of methyl 4-(3-bromophenyl)furan-2-carboxylate?
methyl 4-(3-bromophenyl)furan-2-carboxylate has a molecular weight of 281.11 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-bromophenyl)furan-2-carboxylate is sourced from PubChem (CID 117222845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).