(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

C15H10O4 — CID 1178192

IUPAC(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2O)Oc2cc(O)ccc21
InChIInChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+
InChIKeyWEEYRFRNWMFAKW-VGOFMYFVSA-N
MW254.24 g/mol
LogP2.71
Rot. Bonds1

About (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one

(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 1178192) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID1178192
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2O)Oc2cc(O)ccc21
InChIInChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+
InChIKeyWEEYRFRNWMFAKW-VGOFMYFVSA-N
XLogP2.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.71
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)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one (CID 1178192) is (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C\c2ccccc2O)Oc2cc(O)ccc21.
What is the InChIKey of (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is WEEYRFRNWMFAKW-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7+.
What are the key properties of (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one?
(2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 254.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-hydroxy-2-[(2-hydroxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 1178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).