(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one

C16H12O4 — CID 102208245

IUPAC(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
SMILESCOc1ccc2c(c1)OC(=O)/C2=C/c1ccc(O)cc1
InChIInChI=1S/C16H12O4/c1-19-12-6-7-13-14(16(18)20-15(13)9-12)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3/b14-8+
InChIKeyPXOSYPAHLKKWOF-RIYZIHGNSA-N
MW268.27 g/mol
LogP2.86
Rot. Bonds2

About (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one

(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one (PubChem CID 102208245) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
PubChem CID102208245
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
SMILESCOc1ccc2c(c1)OC(=O)/C2=C/c1ccc(O)cc1
InChIInChI=1S/C16H12O4/c1-19-12-6-7-13-14(16(18)20-15(13)9-12)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3/b14-8+
InChIKeyPXOSYPAHLKKWOF-RIYZIHGNSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
[4-[(E)-(6-acetyloxy-2-oxo-1-benzofuran-3-ylidene)methyl]phenyl] acetate
CID 10593080
4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
(E)-3-[(3Z)-3-[(4-methoxyphenyl)methylidene]-2-oxo-1-benzofuran-5-yl]prop-2-enoic acid
CID 5378964
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
7-methoxy-3-methylidenechromene-2,4-dione
CID 14090723
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
(2Z)-2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-6-methoxy-1-benzofuran-3-one
CID 118734220
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
3-[(3,4-dihydroxyphenyl)methylidene]-5-hydroxy-1-benzofuran-2-one
CID 68977069
(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
CID 134113942

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one?
The IUPAC name of (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one (CID 102208245) is (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one.
What is the SMILES notation for (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one?
The canonical SMILES for (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one is COc1ccc2c(c1)OC(=O)/C2=C/c1ccc(O)cc1.
What is the InChIKey of (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one?
The InChIKey is PXOSYPAHLKKWOF-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-6-7-13-14(16(18)20-15(13)9-12)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3/b14-8+.
What are the key properties of (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one?
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one has a molecular weight of 268.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one is sourced from PubChem (CID 102208245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).