(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one

C16H12O5 — CID 46838130

IUPAC(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1cccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c1
InChIInChI=1S/C16H12O5/c1-20-11-4-2-3-9(5-11)6-14-16(19)15-12(18)7-10(17)8-13(15)21-14/h2-8,17-18H,1H3/b14-6-
InChIKeyYNGRNXRMMILOQC-NSIKDUERSA-N
MW284.27 g/mol
LogP2.72
Rot. Bonds2

About (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one

(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 46838130) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID46838130
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1cccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c1
InChIInChI=1S/C16H12O5/c1-20-11-4-2-3-9(5-11)6-14-16(19)15-12(18)7-10(17)8-13(15)21-14/h2-8,17-18H,1H3/b14-6-
InChIKeyYNGRNXRMMILOQC-NSIKDUERSA-N
XLogP2.72
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-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

(2Z)-2-[(3,5-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 139359988
(2E)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 6123196
(2Z)-4,6-dihydroxy-2-[[3-hydroxy-4-(trideuteriomethoxy)phenyl]methylidene]-1-benzofuran-3-one
CID 169438541
(2Z)-4,6-dihydroxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 90676895
2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 71395967
4,6-dihydroxy-2-[(4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 91214712
ethyl 2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 110275301
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
CID 4601532
(2Z)-7-(diethylaminomethyl)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 7243211
7-(diethylaminomethyl)-6-hydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 7197789
2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 6236165

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 46838130) is (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1cccc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c1.
What is the InChIKey of (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is YNGRNXRMMILOQC-NSIKDUERSA-N. The full InChI is InChI=1S/C16H12O5/c1-20-11-4-2-3-9(5-11)6-14-16(19)15-12(18)7-10(17)8-13(15)21-14/h2-8,17-18H,1H3/b14-6-.
What are the key properties of (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 284.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dihydroxy-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 46838130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).