(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one

C15H14O2 — CID 162662933

IUPAC(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccco1
InChIInChI=1S/C15H14O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
InChIKeyYYNROFKBXGFLLA-BJMVGYQFSA-N
MW226.28 g/mol
LogP3.65
Rot. Bonds5

About (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one

(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one (PubChem CID 162662933) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one
PubChem CID162662933
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccco1
InChIInChI=1S/C15H14O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
InChIKeyYYNROFKBXGFLLA-BJMVGYQFSA-N
XLogP3.65
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one?
The IUPAC name of (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one (CID 162662933) is (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one.
What is the SMILES notation for (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one?
The canonical SMILES for (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1)c1ccco1.
What is the InChIKey of (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one?
The InChIKey is YYNROFKBXGFLLA-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H14O2/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+.
What are the key properties of (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one?
(E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one has a molecular weight of 226.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-5-phenylpent-2-en-1-one is sourced from PubChem (CID 162662933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).