(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one

C18H10O5 — CID 54694371

IUPAC(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
SMILESO=C1O/C(=C2/C(=O)Oc3ccccc32)C(O)=C1c1ccccc1
InChIInChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+
InChIKeyCGRCGRBHNKRILW-JQIJEIRASA-N
MW306.27 g/mol
LogP2.84
Rot. Bonds1

About (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one

(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one (PubChem CID 54694371) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one.

Molecular Properties

Compound Name(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
PubChem CID54694371
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
SMILESO=C1O/C(=C2/C(=O)Oc3ccccc32)C(O)=C1c1ccccc1
InChIInChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+
InChIKeyCGRCGRBHNKRILW-JQIJEIRASA-N
XLogP2.84
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The IUPAC name of (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one (CID 54694371) is (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one.
What is the SMILES notation for (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The canonical SMILES for (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one is O=C1O/C(=C2/C(=O)Oc3ccccc32)C(O)=C1c1ccccc1.
What is the InChIKey of (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The InChIKey is CGRCGRBHNKRILW-JQIJEIRASA-N. The full InChI is InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+.
What are the key properties of (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
(3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one has a molecular weight of 306.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one is sourced from PubChem (CID 54694371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).