(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one

C15H10O6 — CID 177389939

IUPAC(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(O)c2O)Oc2c1ccc(O)c2O
InChIInChI=1S/C15H10O6/c16-9-3-1-2-7(12(9)18)6-11-13(19)8-4-5-10(17)14(20)15(8)21-11/h1-6,16-18,20H/b11-6-
InChIKeyMWNJDAQIOGDKPK-WDZFZDKYSA-N
MW286.24 g/mol
LogP2.13
Rot. Bonds1

About (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one

(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one (PubChem CID 177389939) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
PubChem CID177389939
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(O)c2O)Oc2c1ccc(O)c2O
InChIInChI=1S/C15H10O6/c16-9-3-1-2-7(12(9)18)6-11-13(19)8-4-5-10(17)14(20)15(8)21-11/h1-6,16-18,20H/b11-6-
InChIKeyMWNJDAQIOGDKPK-WDZFZDKYSA-N
XLogP2.13
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-7-hydroxy-1-benzofuran-3-one
CID 155566112
6,7-dihydroxy-2-[(2,3,4,5,6-pentamethylphenyl)methylidene]-1-benzofuran-3-one
CID 85059297
(2E)-2-(3,3-diphenylprop-2-enylidene)-6,7-dihydroxy-1-benzofuran-3-one
CID 173225613
6,7-dihydroxy-2-[(2,3,5,6-tetrafluorophenyl)methylidene]-1-benzofuran-3-one
CID 91518772
(2Z)-6,7-dihydroxy-2-[(2-hydroxy-4-phenylmethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 10156359
2-[(5-fluoro-1H-indol-3-yl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one
CID 67027890
2-[5-[(6,7-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]furan-2-yl]propanoic acid
CID 91280525
(2Z)-6,7-dihydroxy-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 69004476
6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 53411431
(2Z)-2-[(2-fluorophenyl)methylidene]-6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-1-benzofuran-3-one
CID 7197940
(2Z)-6-hydroxy-2-[(4-hydroxy-1H-indol-3-yl)methylidene]-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
CID 86681924
(2Z)-6-hydroxy-7-methyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 58695997

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one (CID 177389939) is (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one is O=C1/C(=C/c2cccc(O)c2O)Oc2c1ccc(O)c2O.
What is the InChIKey of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one?
The InChIKey is MWNJDAQIOGDKPK-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H10O6/c16-9-3-1-2-7(12(9)18)6-11-13(19)8-4-5-10(17)14(20)15(8)21-11/h1-6,16-18,20H/b11-6-.
What are the key properties of (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one?
(2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one has a molecular weight of 286.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,3-dihydroxyphenyl)methylidene]-6,7-dihydroxy-1-benzofuran-3-one is sourced from PubChem (CID 177389939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).