3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one

C18H16O3 — CID 154372983

IUPAC3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one
SMILESCCCOc1ccc(C=C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H16O3/c1-2-11-20-14-9-7-13(8-10-14)12-17-15-5-3-4-6-16(15)18(19)21-17/h3-10,12H,2,11H2,1H3
InChIKeyLBTWZRPMVYZSOV-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.14
Rot. Bonds4

About 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one

3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one (PubChem CID 154372983) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one
PubChem CID154372983
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one
SMILESCCCOc1ccc(C=C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C18H16O3/c1-2-11-20-14-9-7-13(8-10-14)12-17-15-5-3-4-6-16(15)18(19)21-17/h3-10,12H,2,11H2,1H3
InChIKeyLBTWZRPMVYZSOV-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butylphenyl)methylidene]-2-benzofuran-1-one
CID 156772308
(4Z)-2-(2-bromophenyl)-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199428
2-naphthalen-1-yl-4-[(4-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3964157
5-propoxy-2-benzofuran-1,3-dione
CID 139672196
4-[(4-heptoxyphenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 171146627
(4Z)-2-(2-methylphenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6519397
4,6-dihydroxy-2-[(4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 91214712
(5E)-5-[(4-decoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70296275
(3Z)-3-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-2-benzofuran-1-one
CID 642370
(4Z)-4-[(4-butoxyphenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 18527818
(3Z)-3-butylidene-2-benzofuran-1-one;ethane
CID 143103273
azane;3-butylidene-2-benzofuran-1-one
CID 174279522

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one (CID 154372983) is 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one is CCCOc1ccc(C=C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is LBTWZRPMVYZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-11-20-14-9-7-13(8-10-14)12-17-15-5-3-4-6-16(15)18(19)21-17/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one?
3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 280.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propoxyphenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 154372983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).