(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one

C13H8O4 — CID 908039

IUPAC(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccco2)Oc2cc(O)ccc21
InChIInChI=1S/C13H8O4/c14-8-3-4-10-11(6-8)17-12(13(10)15)7-9-2-1-5-16-9/h1-7,14H/b12-7+
InChIKeyVWSAKNMQNUDSHW-KPKJPENVSA-N
MW228.20 g/mol
LogP2.60
Rot. Bonds1

About (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one

(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one (PubChem CID 908039) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
PubChem CID908039
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccco2)Oc2cc(O)ccc21
InChIInChI=1S/C13H8O4/c14-8-3-4-10-11(6-8)17-12(13(10)15)7-9-2-1-5-16-9/h1-7,14H/b12-7+
InChIKeyVWSAKNMQNUDSHW-KPKJPENVSA-N
XLogP2.60
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_I(6)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
CID 943647
[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 5009227
[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-fluorobenzoate
CID 4243412
ethyl (2S)-2-[[(2Z)-2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 2010044
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
6-[(2,4-dichlorophenyl)methoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3-one
CID 4301939
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
6-[(2-chloro-6-fluorophenyl)methoxy]-2-(furan-2-ylmethylidene)-1-benzofuran-3-one
CID 3984075
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 47241499
(2Z,9S)-2-(furan-2-ylmethylidene)-9-(3-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879750
2-[[2-[[2-[[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]acetyl]amino]acetic acid
CID 4838978

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one (CID 908039) is (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one is O=C1/C(=C\c2ccco2)Oc2cc(O)ccc21.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one?
The InChIKey is VWSAKNMQNUDSHW-KPKJPENVSA-N. The full InChI is InChI=1S/C13H8O4/c14-8-3-4-10-11(6-8)17-12(13(10)15)7-9-2-1-5-16-9/h1-7,14H/b12-7+.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one?
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one has a molecular weight of 228.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 908039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).