(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid

C18H12O6 — CID 102217340

IUPAC(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+
InChIKeyAZLZUPINLCKHIS-JQIJEIRASA-N
MW324.29 g/mol
LogP2.71
Rot. Bonds3

About (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid

(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid (PubChem CID 102217340) has the molecular formula C18H12O6 and a molecular weight of 324.29 g/mol. Its IUPAC name is (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid.

Molecular Properties

Compound Name(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
PubChem CID102217340
Molecular FormulaC18H12O6
Molecular Weight324.29 g/mol
Exact Mass324.06
IUPAC Name(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid
SMILESO=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1
InChIInChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+
InChIKeyAZLZUPINLCKHIS-JQIJEIRASA-N
XLogP2.71
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The IUPAC name of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid (CID 102217340) is (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid.
What is the SMILES notation for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The canonical SMILES for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid is O=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccc(O)cc1.
What is the InChIKey of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
The InChIKey is AZLZUPINLCKHIS-JQIJEIRASA-N. The full InChI is InChI=1S/C18H12O6/c19-12-8-6-11(7-9-12)13-15(20)16(24-18(13)23)14(17(21)22)10-4-2-1-3-5-10/h1-9,19-20H,(H,21,22)/b16-14+.
What are the key properties of (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid?
(2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid has a molecular weight of 324.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetic acid is sourced from PubChem (CID 102217340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).