(3Z)-3-benzylidene-5-phenylfuran-2-one

C17H12O2 — CID 714692

IUPAC(3Z)-3-benzylidene-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccccc1
InChIInChI=1S/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H/b15-11-
InChIKeyLISLDGCWYOIVSJ-PTNGSMBKSA-N
MW248.28 g/mol
LogP3.67
Rot. Bonds2

About (3Z)-3-benzylidene-5-phenylfuran-2-one

(3Z)-3-benzylidene-5-phenylfuran-2-one (PubChem CID 714692) has the molecular formula C17H12O2 and a molecular weight of 248.28 g/mol. Its IUPAC name is (3Z)-3-benzylidene-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-5-phenylfuran-2-one
PubChem CID714692
Molecular FormulaC17H12O2
Molecular Weight248.28 g/mol
Exact Mass248.08
IUPAC Name(3Z)-3-benzylidene-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccccc1
InChIInChI=1S/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H/b15-11-
InChIKeyLISLDGCWYOIVSJ-PTNGSMBKSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Benzyl Benzoate
CID 2345
Benzyl Cinnamate
CID 5273469
Benzyl tiglate
CID 250096
Phenethyl Cinnamate
CID 5369459
Cinnamyl benzoate
CID 5705112
Benzyl methacrylate
CID 17236
Benzyl crotonate, (E)-
CID 5356259
Benzoic anhydride
CID 7167
2-Butenoic acid, phenylmethyl ester
CID 97885
Dracorhodin
CID 69509
Benzyl 2,3-dimethylcrotonate
CID 61402
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-5-phenylfuran-2-one?
The IUPAC name of (3Z)-3-benzylidene-5-phenylfuran-2-one (CID 714692) is (3Z)-3-benzylidene-5-phenylfuran-2-one.
What is the SMILES notation for (3Z)-3-benzylidene-5-phenylfuran-2-one?
The canonical SMILES for (3Z)-3-benzylidene-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C/c1ccccc1.
What is the InChIKey of (3Z)-3-benzylidene-5-phenylfuran-2-one?
The InChIKey is LISLDGCWYOIVSJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H/b15-11-.
What are the key properties of (3Z)-3-benzylidene-5-phenylfuran-2-one?
(3Z)-3-benzylidene-5-phenylfuran-2-one has a molecular weight of 248.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-5-phenylfuran-2-one is sourced from PubChem (CID 714692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).