(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one

C14H12O2 — CID 6064643

IUPAC(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C14H12O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-10H,1H3/b9-8+
InChIKeyHAPHMXUPEVEFOQ-CMDGGOBGSA-N
MW212.25 g/mol
LogP3.48
Rot. Bonds3

About (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one

(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 6064643) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one
PubChem CID6064643
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C14H12O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-10H,1H3/b9-8+
InChIKeyHAPHMXUPEVEFOQ-CMDGGOBGSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(5-methylfuran-2-yl)-3-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)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one (CID 6064643) is (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2ccccc2)o1.
What is the InChIKey of (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is HAPHMXUPEVEFOQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12O2/c1-11-7-10-14(16-11)13(15)9-8-12-5-3-2-4-6-12/h2-10H,1H3/b9-8+.
What are the key properties of (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one?
(E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one has a molecular weight of 212.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methylfuran-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 6064643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).