(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one

C18H14O2 — CID 643927

IUPAC(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one
SMILESC/C(=C\C=C1\OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C18H14O2/c1-13(14-7-3-2-4-8-14)11-12-17-15-9-5-6-10-16(15)18(19)20-17/h2-12H,1H3/b13-11+,17-12+
InChIKeyUWQJFBWDEKGUFY-QKIOLIMFSA-N
MW262.31 g/mol
LogP4.30
Rot. Bonds2

About (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one

(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one (PubChem CID 643927) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one
PubChem CID643927
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one
SMILESC/C(=C\C=C1\OC(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C18H14O2/c1-13(14-7-3-2-4-8-14)11-12-17-15-9-5-6-10-16(15)18(19)20-17/h2-12H,1H3/b13-11+,17-12+
InChIKeyUWQJFBWDEKGUFY-QKIOLIMFSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
CID 927453
(3E)-3-(2-hydroxy-2-methylpropylidene)-2-benzofuran-1-one
CID 177497676
3-(bromomethylidene)-2-benzofuran-1-one
CID 74390240
(3E)-3-[[2-(2-oxopropyl)phenyl]methylidene]-2-benzofuran-1-one
CID 99902055
3-(2,2-dimethylpropylidene)-2-benzofuran-1-one
CID 85401188
(3Z)-3-[(2-bromophenyl)methylidene]-2-benzofuran-1-one
CID 6508933
3-(2-methylbut-3-enylidene)-2-benzofuran-1-one
CID 91349490
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
5-phenylhexa-2,4-dienal
CID 71444454
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one?
The IUPAC name of (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one (CID 643927) is (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one?
The canonical SMILES for (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one is C/C(=C\C=C1\OC(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one?
The InChIKey is UWQJFBWDEKGUFY-QKIOLIMFSA-N. The full InChI is InChI=1S/C18H14O2/c1-13(14-7-3-2-4-8-14)11-12-17-15-9-5-6-10-16(15)18(19)20-17/h2-12H,1H3/b13-11+,17-12+.
What are the key properties of (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one?
(3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one has a molecular weight of 262.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-phenylbut-2-enylidene]-2-benzofuran-1-one is sourced from PubChem (CID 643927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).