5-hydroxy-6-phenyl-3H-1-benzofuran-2-one

C14H10O3 — CID 10443677

IUPAC5-hydroxy-6-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2cc(O)c(-c3ccccc3)cc2O1
InChIInChI=1S/C14H10O3/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h1-6,8,15H,7H2
InChIKeyRNGDWAPSLIXZIE-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.52
Rot. Bonds1

About 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one

5-hydroxy-6-phenyl-3H-1-benzofuran-2-one (PubChem CID 10443677) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-hydroxy-6-phenyl-3H-1-benzofuran-2-one
PubChem CID10443677
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name5-hydroxy-6-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Cc2cc(O)c(-c3ccccc3)cc2O1
InChIInChI=1S/C14H10O3/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h1-6,8,15H,7H2
InChIKeyRNGDWAPSLIXZIE-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one (CID 10443677) is 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one is O=C1Cc2cc(O)c(-c3ccccc3)cc2O1.
What is the InChIKey of 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one?
The InChIKey is RNGDWAPSLIXZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-12-6-10-7-14(16)17-13(10)8-11(12)9-4-2-1-3-5-9/h1-6,8,15H,7H2.
What are the key properties of 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one?
5-hydroxy-6-phenyl-3H-1-benzofuran-2-one has a molecular weight of 226.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 10443677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).