(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one

C15H10O5 — CID 155566112

IUPAC(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(O)c2O)Oc2c(O)cccc21
InChIInChI=1S/C15H10O5/c16-10-5-1-3-8(13(10)18)7-12-14(19)9-4-2-6-11(17)15(9)20-12/h1-7,16-18H/b12-7-
InChIKeyYIIQAJUZKYJXOJ-GHXNOFRVSA-N
MW270.24 g/mol
LogP2.42
Rot. Bonds1

About (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one

(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one (PubChem CID 155566112) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one
PubChem CID155566112
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(O)c2O)Oc2c(O)cccc21
InChIInChI=1S/C15H10O5/c16-10-5-1-3-8(13(10)18)7-12-14(19)9-4-2-6-11(17)15(9)20-12/h1-7,16-18H/b12-7-
InChIKeyYIIQAJUZKYJXOJ-GHXNOFRVSA-N
XLogP2.42
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one (CID 155566112) is (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one is O=C1/C(=C/c2cccc(O)c2O)Oc2c(O)cccc21.
What is the InChIKey of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one?
The InChIKey is YIIQAJUZKYJXOJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H10O5/c16-10-5-1-3-8(13(10)18)7-12-14(19)9-4-2-6-11(17)15(9)20-12/h1-7,16-18H/b12-7-.
What are the key properties of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one?
(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one has a molecular weight of 270.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 155566112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).