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

C17H12O2 — CID 927453

IUPAC(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12O2/c18-17-15-11-5-4-10-14(15)16(19-17)12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+
InChIKeyBWRXEDXIEAKICC-LVEAOLTQSA-N
MW248.28 g/mol
LogP3.91
Rot. Bonds2

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

(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one (PubChem CID 927453) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
PubChem CID927453
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H12O2/c18-17-15-11-5-4-10-14(15)16(19-17)12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+
InChIKeyBWRXEDXIEAKICC-LVEAOLTQSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cinnamylidene-5-hydroxy-4-phenylpyran-2,3-dione
CID 72751782
(3E)-3-[(E)-3-phenylprop-2-enylidene]chromene-2,4-dione
CID 14703519
(5Z)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-4-one
CID 919313
3-(bromomethylidene)-2-benzofuran-1-one
CID 74390240
2-benzofuran-1,3-dione
CID 123741998
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
2-benzofuran-1,3-dione
CID 163894732
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
2,5-dicinnamylidenecyclopentan-1-one
CID 2806566
3-(2,2-dimethylpropylidene)-2-benzofuran-1-one
CID 85401188
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one?
The IUPAC name of (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one (CID 927453) is (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one?
The canonical SMILES for (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one is O=C1O/C(=C/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one?
The InChIKey is BWRXEDXIEAKICC-LVEAOLTQSA-N. The full InChI is InChI=1S/C17H12O2/c18-17-15-11-5-4-10-14(15)16(19-17)12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+.
What are the key properties of (3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one?
(3E)-3-[(E)-3-phenylprop-2-enylidene]-2-benzofuran-1-one has a molecular weight of 248.28 g/mol, XLogP of 3.91, 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-phenylprop-2-enylidene]-2-benzofuran-1-one is sourced from PubChem (CID 927453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).