(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

C13H10O2 — CID 5354164

IUPAC(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C13H10O2/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
InChIKeyBVAGSGSYUAOFPJ-CMDGGOBGSA-N
MW198.22 g/mol
LogP3.18
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 5354164) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
PubChem CID5354164
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C13H10O2/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
InChIKeyBVAGSGSYUAOFPJ-CMDGGOBGSA-N
XLogP3.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one (CID 5354164) is (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is BVAGSGSYUAOFPJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10O2/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 198.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5354164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).