3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one

C21H20O3 — CID 809070

IUPAC3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
SMILESCOc1ccc(C=C2C=C(c3ccc(C(C)C)cc3)OC2=O)cc1
InChIInChI=1S/C21H20O3/c1-14(2)16-6-8-17(9-7-16)20-13-18(21(22)24-20)12-15-4-10-19(23-3)11-5-15/h4-14H,1-3H3
InChIKeyQXHIPPNEDONPJW-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.80
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one

3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one (PubChem CID 809070) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
PubChem CID809070
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one
SMILESCOc1ccc(C=C2C=C(c3ccc(C(C)C)cc3)OC2=O)cc1
InChIInChI=1S/C21H20O3/c1-14(2)16-6-8-17(9-7-16)20-13-18(21(22)24-20)12-15-4-10-19(23-3)11-5-15/h4-14H,1-3H3
InChIKeyQXHIPPNEDONPJW-UHFFFAOYSA-N
XLogP4.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.80
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
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137
3-[(4-ethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3114214
(3Z)-5-(4-propan-2-ylphenyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 6034938
[4-[(E)-[5-(4-methoxyphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 878185
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3E)-3-[(3,5-dibromo-4-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 96843329
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668220
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one (CID 809070) is 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one is COc1ccc(C=C2C=C(c3ccc(C(C)C)cc3)OC2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one?
The InChIKey is QXHIPPNEDONPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-14(2)16-6-8-17(9-7-16)20-13-18(21(22)24-20)12-15-4-10-19(23-3)11-5-15/h4-14H,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one?
3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)furan-2-one is sourced from PubChem (CID 809070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).