(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one

C17H16O2 — CID 5462970

IUPAC(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one
SMILESCCO/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18)14-9-5-3-6-10-14/h3-13H,2H2,1H3/b17-13-
InChIKeyGMWQGXUAHMDHHZ-LGMDPLHJSA-N
MW252.31 g/mol
LogP3.95
Rot. Bonds5

About (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one

(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one (PubChem CID 5462970) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one
PubChem CID5462970
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one
SMILESCCO/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18)14-9-5-3-6-10-14/h3-13H,2H2,1H3/b17-13-
InChIKeyGMWQGXUAHMDHHZ-LGMDPLHJSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one (CID 5462970) is (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one is CCO/C(=C\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is GMWQGXUAHMDHHZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-19-17(15-11-7-4-8-12-15)13-16(18)14-9-5-3-6-10-14/h3-13H,2H2,1H3/b17-13-.
What are the key properties of (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one?
(Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 5462970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).