methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate

C11H9BrO5 — CID 106945906

IUPACmethyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2ccc(Br)o2)o1
InChIInChI=1S/C11H9BrO5/c1-15-11(14)8-3-2-6(16-8)10(13)7-4-5-9(12)17-7/h2-5,10,13H,1H3
InChIKeyFBWYOGBQPSSMFY-UHFFFAOYSA-N
MW301.09 g/mol
LogP2.50
Rot. Bonds3

About methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate

methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate (PubChem CID 106945906) has the molecular formula C11H9BrO5 and a molecular weight of 301.09 g/mol. Its IUPAC name is methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
PubChem CID106945906
Molecular FormulaC11H9BrO5
Molecular Weight301.09 g/mol
Exact Mass299.96
IUPAC Namemethyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2ccc(Br)o2)o1
InChIInChI=1S/C11H9BrO5/c1-15-11(14)8-3-2-6(16-8)10(13)7-4-5-9(12)17-7/h2-5,10,13H,1H3
InChIKeyFBWYOGBQPSSMFY-UHFFFAOYSA-N
XLogP2.50
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[2-(4-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106946976
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxylate
CID 106945947
methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
methyl 5-[(3,4-dichlorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945920
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-[(3-chloro-2-methylphenyl)-hydroxymethyl]furan-2-carboxylate
CID 107103555
methyl 5-[2-(3-bromophenyl)-1-hydroxyethyl]furan-2-carboxylate
CID 106947176
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-[hydroxy-(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxylate
CID 106947157

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate (CID 106945906) is methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate is COC(=O)c1ccc(C(O)c2ccc(Br)o2)o1.
What is the InChIKey of methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate?
The InChIKey is FBWYOGBQPSSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO5/c1-15-11(14)8-3-2-6(16-8)10(13)7-4-5-9(12)17-7/h2-5,10,13H,1H3.
What are the key properties of methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate?
methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate has a molecular weight of 301.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate is sourced from PubChem (CID 106945906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).