2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one

C16H12O4 — CID 578349

IUPAC2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OC(=Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C16H12O4/c1-19-12-6-7-13-14(9-12)20-15(16(13)18)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChIKeyMFVPNDADRDUDMC-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.02
Rot. Bonds2

About 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one

2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one (PubChem CID 578349) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
PubChem CID578349
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OC(=Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C16H12O4/c1-19-12-6-7-13-14(9-12)20-15(16(13)18)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChIKeyMFVPNDADRDUDMC-UHFFFAOYSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
CID 908051
(3E)-3-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-2-one
CID 102208245
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
(2Z)-2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-6-methoxy-1-benzofuran-3-one
CID 118734220
(2R)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 7003430
(2S)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 7003427
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
[2-methoxy-4-[(E)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-dimethylcarbamate
CID 98384918
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The IUPAC name of 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one (CID 578349) is 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one is COc1ccc2c(c1)OC(=Cc1ccc(O)cc1)C2=O.
What is the InChIKey of 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
The InChIKey is MFVPNDADRDUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-6-7-13-14(9-12)20-15(16(13)18)8-10-2-4-11(17)5-3-10/h2-9,17H,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one?
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one has a molecular weight of 268.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 578349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).