(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one

C15H12O2 — CID 6310903

IUPAC(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C15H12O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-12H/b9-4+,10-5+
InChIKeyWGZYMAVQZOPSBA-LUZURFALSA-N
MW224.26 g/mol
LogP3.73
Rot. Bonds4

About (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one

(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 6310903) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one
PubChem CID6310903
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C15H12O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-12H/b9-4+,10-5+
InChIKeyWGZYMAVQZOPSBA-LUZURFALSA-N
XLogP3.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Methylfurfural
CID 12097
2-Acetylfuran
CID 14505
4-Ethoxybenzaldehyde
CID 24834
2-Benzofurancarboxaldehyde
CID 61341
2-Furyl pentyl ketone
CID 61738
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325
Phenethyl 2-furoate
CID 251531
2-Acetyl-3,5-dimethylfuran
CID 579675
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
1-Propanone, 1-(2-furanyl)-
CID 76662

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one (CID 6310903) is (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccccc1)c1ccco1.
What is the InChIKey of (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is WGZYMAVQZOPSBA-LUZURFALSA-N. The full InChI is InChI=1S/C15H12O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-12H/b9-4+,10-5+.
What are the key properties of (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one?
(2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 224.26 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 6310903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).