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

C16H12O3 — CID 619835

IUPAC2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(C=C2Oc3ccccc3C2=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
InChIKeyWPHKUMCSOVGQCK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds2

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

2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 619835) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID619835
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(C=C2Oc3ccccc3C2=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
InChIKeyWPHKUMCSOVGQCK-UHFFFAOYSA-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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Related Compounds

(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
(2Z)-2-[[4-[4-methyl-2-[[4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]methyl]pentoxy]phenyl]methylidene]-1-benzofuran-3-one
CID 127030629
(2S)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 7003427
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
CID 908051
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
(2R)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 7003430
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
[2-methoxy-4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] 2-methylprop-2-enoate
CID 138756499

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one (CID 619835) is 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccc(C=C2Oc3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is WPHKUMCSOVGQCK-UHFFFAOYSA-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.
What are the key properties of 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one?
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 2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 619835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).