6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one

C13H12O4 — CID 118986031

IUPAC6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one
SMILESO=C1C(=C2CCOCC2)Oc2cc(O)ccc21
InChIInChI=1S/C13H12O4/c14-9-1-2-10-11(7-9)17-13(12(10)15)8-3-5-16-6-4-8/h1-2,7,14H,3-6H2
InChIKeyQAYXRCVLWHXECE-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.03
Rot. Bonds

About 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one

6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one (PubChem CID 118986031) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one
PubChem CID118986031
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one
SMILESO=C1C(=C2CCOCC2)Oc2cc(O)ccc21
InChIInChI=1S/C13H12O4/c14-9-1-2-10-11(7-9)17-13(12(10)15)8-3-5-16-6-4-8/h1-2,7,14H,3-6H2
InChIKeyQAYXRCVLWHXECE-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,9-dihydroxybenzo[b][1,4]benzodioxepin-6-one
CID 58652990
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 47241499
6-hydroxy-2,3-dimethylnaphthalene-1,4-dione
CID 86718674
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 908039
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
8-hydroxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59403478
2-hydroxyanthracene-9,10-dione
CID 11796
9-hydroxy-3-methyl-7H-benzo[d][1]benzoxepin-6-one
CID 167642171
(2Z)-2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 163286903
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one?
The IUPAC name of 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one (CID 118986031) is 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one.
What is the SMILES notation for 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one?
The canonical SMILES for 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one is O=C1C(=C2CCOCC2)Oc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one?
The InChIKey is QAYXRCVLWHXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-9-1-2-10-11(7-9)17-13(12(10)15)8-3-5-16-6-4-8/h1-2,7,14H,3-6H2.
What are the key properties of 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one?
6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one has a molecular weight of 232.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(oxan-4-ylidene)-1-benzofuran-3-one is sourced from PubChem (CID 118986031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).