methyl 2-hydroxyfuran-3-carboxylate

C6H6O4 — CID 137156283

IUPACmethyl 2-hydroxyfuran-3-carboxylate
SMILESCOC(=O)c1ccoc1O
InChIInChI=1S/C6H6O4/c1-9-5(7)4-2-3-10-6(4)8/h2-3,8H,1H3
InChIKeyMRPSIJZPGLXOJV-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.77
Rot. Bonds1

About methyl 2-hydroxyfuran-3-carboxylate

methyl 2-hydroxyfuran-3-carboxylate (PubChem CID 137156283) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is methyl 2-hydroxyfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxyfuran-3-carboxylate
PubChem CID137156283
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Namemethyl 2-hydroxyfuran-3-carboxylate
SMILESCOC(=O)c1ccoc1O
InChIInChI=1S/C6H6O4/c1-9-5(7)4-2-3-10-6(4)8/h2-3,8H,1H3
InChIKeyMRPSIJZPGLXOJV-UHFFFAOYSA-N
XLogP0.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-hydroxyfuran-3-carboxylate
CID 137072209
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-[(E)-prop-1-enyl]furan-3-carboxylate
CID 102400051
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 7-nitroso-1-benzofuran-4-carboxylate
CID 142822071
methyl 2-[diethoxyphosphoryl(hydroxy)methyl]furan-3-carboxylate
CID 134693354

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxyfuran-3-carboxylate?
The IUPAC name of methyl 2-hydroxyfuran-3-carboxylate (CID 137156283) is methyl 2-hydroxyfuran-3-carboxylate.
What is the SMILES notation for methyl 2-hydroxyfuran-3-carboxylate?
The canonical SMILES for methyl 2-hydroxyfuran-3-carboxylate is COC(=O)c1ccoc1O.
What is the InChIKey of methyl 2-hydroxyfuran-3-carboxylate?
The InChIKey is MRPSIJZPGLXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-9-5(7)4-2-3-10-6(4)8/h2-3,8H,1H3.
What are the key properties of methyl 2-hydroxyfuran-3-carboxylate?
methyl 2-hydroxyfuran-3-carboxylate has a molecular weight of 142.11 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxyfuran-3-carboxylate is sourced from PubChem (CID 137156283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).