(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid

C18H12O5 — CID 54682513

IUPAC(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C18H12O5/c19-15-13(11-7-3-1-4-8-11)18(22)23-16(15)14(17(20)21)12-9-5-2-6-10-12/h1-10,19H,(H,20,21)/b16-14+
InChIKeyCMFBGFRHPQTELQ-JQIJEIRASA-N
MW308.29 g/mol
LogP3.01
Rot. Bonds3

About (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid

(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid (PubChem CID 54682513) has the molecular formula C18H12O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid.

Molecular Properties

Compound Name(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid
PubChem CID54682513
Molecular FormulaC18H12O5
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C18H12O5/c19-15-13(11-7-3-1-4-8-11)18(22)23-16(15)14(17(20)21)12-9-5-2-6-10-12/h1-10,19H,(H,20,21)/b16-14+
InChIKeyCMFBGFRHPQTELQ-JQIJEIRASA-N
XLogP3.01
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid?
The IUPAC name of (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid (CID 54682513) is (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid.
What is the SMILES notation for (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid?
The canonical SMILES for (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid is O=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccccc1.
What is the InChIKey of (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid?
The InChIKey is CMFBGFRHPQTELQ-JQIJEIRASA-N. The full InChI is InChI=1S/C18H12O5/c19-15-13(11-7-3-1-4-8-11)18(22)23-16(15)14(17(20)21)12-9-5-2-6-10-12/h1-10,19H,(H,20,21)/b16-14+.
What are the key properties of (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid?
(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid has a molecular weight of 308.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid is sourced from PubChem (CID 54682513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).