methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate

C12H16O4 — CID 106946238

IUPACmethyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(O)C2(C)CC2)o1
InChIInChI=1S/C12H16O4/c1-11(6-7-11)12(2,14)9-5-4-8(16-9)10(13)15-3/h4-5,14H,6-7H2,1-3H3
InChIKeyAZKBIANGMJKCPM-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds3

About methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate

methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate (PubChem CID 106946238) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate
PubChem CID106946238
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)(O)C2(C)CC2)o1
InChIInChI=1S/C12H16O4/c1-11(6-7-11)12(2,14)9-5-4-8(16-9)10(13)15-3/h4-5,14H,6-7H2,1-3H3
InChIKeyAZKBIANGMJKCPM-UHFFFAOYSA-N
XLogP2.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate (CID 106946238) is methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)(O)C2(C)CC2)o1.
What is the InChIKey of methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate?
The InChIKey is AZKBIANGMJKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-11(6-7-11)12(2,14)9-5-4-8(16-9)10(13)15-3/h4-5,14H,6-7H2,1-3H3.
What are the key properties of methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate?
methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-hydroxy-1-(1-methylcyclopropyl)ethyl]furan-2-carboxylate is sourced from PubChem (CID 106946238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).