5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one

C13H15NO3 — CID 102537331

IUPAC5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one
SMILESCC(C)c1ccc(C2OC(N)=C(O)C2=O)cc1
InChIInChI=1S/C13H15NO3/c1-7(2)8-3-5-9(6-4-8)12-10(15)11(16)13(14)17-12/h3-7,12,16H,14H2,1-2H3
InChIKeyYLLBTEGOIACVFC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one

5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one (PubChem CID 102537331) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one
PubChem CID102537331
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one
SMILESCC(C)c1ccc(C2OC(N)=C(O)C2=O)cc1
InChIInChI=1S/C13H15NO3/c1-7(2)8-3-5-9(6-4-8)12-10(15)11(16)13(14)17-12/h3-7,12,16H,14H2,1-2H3
InChIKeyYLLBTEGOIACVFC-UHFFFAOYSA-N
XLogP2.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one?
The IUPAC name of 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one (CID 102537331) is 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one?
The canonical SMILES for 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one is CC(C)c1ccc(C2OC(N)=C(O)C2=O)cc1.
What is the InChIKey of 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one?
The InChIKey is YLLBTEGOIACVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7(2)8-3-5-9(6-4-8)12-10(15)11(16)13(14)17-12/h3-7,12,16H,14H2,1-2H3.
What are the key properties of 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one?
5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one has a molecular weight of 233.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-(4-propan-2-ylphenyl)furan-3-one is sourced from PubChem (CID 102537331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).