(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one

C17H16O2 — CID 10060768

IUPAC(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)16(18)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3/b13-12+
InChIKeyZHSIXNBMESZAEC-OUKQBFOZSA-N
MW252.31 g/mol
LogP3.98
Rot. Bonds5

About (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 10060768) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID10060768
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one
SMILESCCOc1ccccc1C(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)16(18)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3/b13-12+
InChIKeyZHSIXNBMESZAEC-OUKQBFOZSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one (CID 10060768) is (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one is CCOc1ccccc1C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is ZHSIXNBMESZAEC-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-19-17-11-7-6-10-15(17)16(18)13-12-14-8-4-3-5-9-14/h3-13H,2H2,1H3/b13-12+.
What are the key properties of (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethoxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 10060768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).