(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one

C15H14O3 — CID 927799

IUPAC(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C15H14O3/c1-11-3-7-14(17-11)9-5-13(16)6-10-15-8-4-12(2)18-15/h3-10H,1-2H3/b9-5+,10-6+
InChIKeyPISDKWAWFIZQNA-NXZHAISVSA-N
MW242.27 g/mol
LogP3.79
Rot. Bonds4

About (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one (PubChem CID 927799) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one
PubChem CID927799
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one
SMILESCc1ccc(/C=C/C(=O)/C=C/c2ccc(C)o2)o1
InChIInChI=1S/C15H14O3/c1-11-3-7-14(17-11)9-5-13(16)6-10-15-8-4-12(2)18-15/h3-10H,1-2H3/b9-5+,10-6+
InChIKeyPISDKWAWFIZQNA-NXZHAISVSA-N
XLogP3.79
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one (CID 927799) is (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one is Cc1ccc(/C=C/C(=O)/C=C/c2ccc(C)o2)o1.
What is the InChIKey of (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one?
The InChIKey is PISDKWAWFIZQNA-NXZHAISVSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-3-7-14(17-11)9-5-13(16)6-10-15-8-4-12(2)18-15/h3-10H,1-2H3/b9-5+,10-6+.
What are the key properties of (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one has a molecular weight of 242.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(5-methylfuran-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 927799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).