2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one

C25H22O4 — CID 5265512

IUPAC2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
SMILESCCOc1ccccc1C=C1Oc2cc(OCc3ccccc3C)ccc2C1=O
InChIInChI=1S/C25H22O4/c1-3-27-22-11-7-6-9-18(22)14-24-25(26)21-13-12-20(15-23(21)29-24)28-16-19-10-5-4-8-17(19)2/h4-15H,3,16H2,1-2H3
InChIKeyYPOWPAKTQNHMSM-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.59
Rot. Bonds6

About 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one

2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 5265512) has the molecular formula C25H22O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
PubChem CID5265512
Molecular FormulaC25H22O4
Molecular Weight386.45 g/mol
Exact Mass386.15
IUPAC Name2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
SMILESCCOc1ccccc1C=C1Oc2cc(OCc3ccccc3C)ccc2C1=O
InChIInChI=1S/C25H22O4/c1-3-27-22-11-7-6-9-18(22)14-24-25(26)21-13-12-20(15-23(21)29-24)28-16-19-10-5-4-8-17(19)2/h4-15H,3,16H2,1-2H3
InChIKeyYPOWPAKTQNHMSM-UHFFFAOYSA-N
XLogP5.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
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-[(2-methoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 6316520
6-[(2,4-dichlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265863
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
2-[[2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 5266365
6-[(2-methylphenyl)methoxy]-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 4266889
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
(2Z)-6-[(2-methylphenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532546
2-[(4-bromophenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 3904736
[2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobutanoate
CID 5264673
ethyl 2-[[2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 943301
ethyl 2-[2-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetate
CID 7197689
[(2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate
CID 19260914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one (CID 5265512) is 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one is CCOc1ccccc1C=C1Oc2cc(OCc3ccccc3C)ccc2C1=O.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is YPOWPAKTQNHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O4/c1-3-27-22-11-7-6-9-18(22)14-24-25(26)21-13-12-20(15-23(21)29-24)28-16-19-10-5-4-8-17(19)2/h4-15H,3,16H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one?
2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 386.45 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 5265512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).