3-[(4-methoxyphenyl)methylidene]furan-2-one

C12H10O3 — CID 20980047

IUPAC3-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C=C2C=COC2=O)cc1
InChIInChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-8H,1H3
InChIKeyYESOGOCJCJLUDZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.15
Rot. Bonds2

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

3-[(4-methoxyphenyl)methylidene]furan-2-one (PubChem CID 20980047) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylidene]furan-2-one
PubChem CID20980047
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(C=C2C=COC2=O)cc1
InChIInChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-8H,1H3
InChIKeyYESOGOCJCJLUDZ-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
2-[(4-methoxyphenyl)methylidene]-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 139083181
(3Z)-3-[(4-methoxyphenyl)methylidene]indene-1-carbaldehyde
CID 177419708
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(4E)-4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 5386572
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
CID 809070
(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
[4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 878185
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylidene]furan-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylidene]furan-2-one (CID 20980047) is 3-[(4-methoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylidene]furan-2-one is COc1ccc(C=C2C=COC2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylidene]furan-2-one?
The InChIKey is YESOGOCJCJLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)8-10-6-7-15-12(10)13/h2-8H,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methylidene]furan-2-one?
3-[(4-methoxyphenyl)methylidene]furan-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 20980047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).