(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one

C17H14O3 — CID 47241499

IUPAC(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
SMILESCc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1C
InChIInChI=1S/C17H14O3/c1-10-3-4-12(7-11(10)2)8-16-17(19)14-6-5-13(18)9-15(14)20-16/h3-9,18H,1-2H3/b16-8-
InChIKeyYRMZWIREKOQLRT-PXNMLYILSA-N
MW266.30 g/mol
LogP3.63
Rot. Bonds1

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

(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one (PubChem CID 47241499) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
PubChem CID47241499
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
SMILESCc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1C
InChIInChI=1S/C17H14O3/c1-10-3-4-12(7-11(10)2)8-16-17(19)14-6-5-13(18)9-15(14)20-16/h3-9,18H,1-2H3/b16-8-
InChIKeyYRMZWIREKOQLRT-PXNMLYILSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-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-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 17476607
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
6-hydroxy-2-[(3-methoxy-4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 54352699
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
6-hydroxy-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 4523806
(2Z)-2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 163286903
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
3-[4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenoxy]propanoic acid
CID 91944229
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 18823789
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 908039
4-[(Z)-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxy-6-nitrophenolate
CID 11984826
(2Z)-6-hydroxy-2-[(1-propylpyrazol-4-yl)methylidene]-1-benzofuran-3-one
CID 129452357

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one (CID 47241499) is (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one is Cc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)cc1C.
What is the InChIKey of (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The InChIKey is YRMZWIREKOQLRT-PXNMLYILSA-N. The full InChI is InChI=1S/C17H14O3/c1-10-3-4-12(7-11(10)2)8-16-17(19)14-6-5-13(18)9-15(14)20-16/h3-9,18H,1-2H3/b16-8-.
What are the key properties of (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one has a molecular weight of 266.30 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 47241499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).