(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one

C16H12O3 — CID 642380

IUPAC(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C16H12O3/c1-18-12-7-8-13-14(10-12)19-15(16(13)17)9-11-5-3-2-4-6-11/h2-10H,1H3/b15-9-
InChIKeyLKWWJGGLULNRBP-DHDCSXOGSA-N
MW252.27 g/mol
LogP3.31
Rot. Bonds2

About (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one

(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one (PubChem CID 642380) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
PubChem CID642380
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C16H12O3/c1-18-12-7-8-13-14(10-12)19-15(16(13)17)9-11-5-3-2-4-6-11/h2-10H,1H3/b15-9-
InChIKeyLKWWJGGLULNRBP-DHDCSXOGSA-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

2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
[2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] methanesulfonate
CID 4601532
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
CID 5264966
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate
CID 6315981
2-[[(2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 6236165
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
(2-benzylidene-3-oxo-1-benzofuran-6-yl) benzoate
CID 4272107
(2R)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 7003430

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one (CID 642380) is (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one is COc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O.
What is the InChIKey of (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one?
The InChIKey is LKWWJGGLULNRBP-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-7-8-13-14(10-12)19-15(16(13)17)9-11-5-3-2-4-6-11/h2-10H,1H3/b15-9-.
What are the key properties of (2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one?
(2Z)-2-benzylidene-6-methoxy-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-benzylidene-6-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 642380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).