(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one

C16H12O3 — CID 18823576

IUPAC(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1)C(=O)/C(=C/c1ccccc1O)O2
InChIInChI=1S/C16H12O3/c1-10-6-7-14-12(8-10)16(18)15(19-14)9-11-4-2-3-5-13(11)17/h2-9,17H,1H3/b15-9-
InChIKeyUSANDSOXCYFVNC-DHDCSXOGSA-N
MW252.27 g/mol
LogP3.32
Rot. Bonds1

About (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one

(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one (PubChem CID 18823576) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
PubChem CID18823576
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
SMILESCc1ccc2c(c1)C(=O)/C(=C/c1ccccc1O)O2
InChIInChI=1S/C16H12O3/c1-10-6-7-14-12(8-10)16(18)15(19-14)9-11-4-2-3-5-13(11)17/h2-9,17H,1H3/b15-9-
InChIKeyUSANDSOXCYFVNC-DHDCSXOGSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one (CID 18823576) is (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one is Cc1ccc2c(c1)C(=O)/C(=C/c1ccccc1O)O2.
What is the InChIKey of (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one?
The InChIKey is USANDSOXCYFVNC-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-6-7-14-12(8-10)16(18)15(19-14)9-11-4-2-3-5-13(11)17/h2-9,17H,1H3/b15-9-.
What are the key properties of (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one?
(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one has a molecular weight of 252.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one is sourced from PubChem (CID 18823576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).