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

C16H12O3 — CID 642384

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2\Oc3ccccc3C2=O)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-
InChIKeyWPHKUMCSOVGQCK-GDNBJRDFSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds2

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

(2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 642384) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID642384
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(/C=C2\Oc3ccccc3C2=O)cc1
InChIInChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-
InChIKeyWPHKUMCSOVGQCK-GDNBJRDFSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 642384) is (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccc(/C=C2\Oc3ccccc3C2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is WPHKUMCSOVGQCK-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-8-6-11(7-9-12)10-15-16(17)13-4-2-3-5-14(13)19-15/h2-10H,1H3/b15-10-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 252.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).