methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate

C11H14O4 — CID 106946497

IUPACmethyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CC(C)C2)o1
InChIInChI=1S/C11H14O4/c1-7-5-11(13,6-7)9-4-3-8(15-9)10(12)14-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyMHVDBDUWDUVOEW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.68
Rot. Bonds2

About methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate

methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate (PubChem CID 106946497) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate
PubChem CID106946497
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CC(C)C2)o1
InChIInChI=1S/C11H14O4/c1-7-5-11(13,6-7)9-4-3-8(15-9)10(12)14-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyMHVDBDUWDUVOEW-UHFFFAOYSA-N
XLogP1.68
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(1-hydroxy-3-methylcyclobutyl)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

methyl 5-(1-hydroxy-4-methoxycyclohexyl)furan-2-carboxylate
CID 106946391
methyl 5-(1-hydroxy-4-oxocyclohexyl)furan-2-carboxylate
CID 106946163
methyl 5-(1-hydroxy-3,3-dimethylcyclohexyl)furan-2-carboxylate
CID 106946104
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
methyl 5-(2-bicyclo[2.2.1]heptanyl)furan-2-carboxylate
CID 134947540
methyl 5-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]furan-2-carboxylate
CID 62551826
methyl 5-cyclopropylsulfanylfuran-2-carboxylate
CID 163367666
methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
CID 107001357
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
CID 62396348
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate (CID 106946497) is methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate is COC(=O)c1ccc(C2(O)CC(C)C2)o1.
What is the InChIKey of methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate?
The InChIKey is MHVDBDUWDUVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-5-11(13,6-7)9-4-3-8(15-9)10(12)14-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate?
methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate is sourced from PubChem (CID 106946497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).