3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione

C13H10O4 — CID 54017782

IUPAC3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione
SMILESO=C(CO)C(=O)c1ccoc1-c1ccccc1
InChIInChI=1S/C13H10O4/c14-8-11(15)12(16)10-6-7-17-13(10)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyKWUHOVOTCURRMC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.69
Rot. Bonds4

About 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione

3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione (PubChem CID 54017782) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione.

Molecular Properties

Compound Name3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione
PubChem CID54017782
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione
SMILESO=C(CO)C(=O)c1ccoc1-c1ccccc1
InChIInChI=1S/C13H10O4/c14-8-11(15)12(16)10-6-7-17-13(10)9-4-2-1-3-5-9/h1-7,14H,8H2
InChIKeyKWUHOVOTCURRMC-UHFFFAOYSA-N
XLogP1.69
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione?
The IUPAC name of 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione (CID 54017782) is 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione.
What is the SMILES notation for 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione?
The canonical SMILES for 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione is O=C(CO)C(=O)c1ccoc1-c1ccccc1.
What is the InChIKey of 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione?
The InChIKey is KWUHOVOTCURRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-8-11(15)12(16)10-6-7-17-13(10)9-4-2-1-3-5-9/h1-7,14H,8H2.
What are the key properties of 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione?
3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione has a molecular weight of 230.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-phenylfuran-3-yl)propane-1,2-dione is sourced from PubChem (CID 54017782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).