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

C21H16O2 — CID 13085906

IUPAC(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-16H/b21-16-
InChIKeyHAKUEQCXTHCYOP-PGMHBOJBSA-N
MW300.36 g/mol
LogP4.99
Rot. Bonds5

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

(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one (PubChem CID 13085906) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one
PubChem CID13085906
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-16H/b21-16-
InChIKeyHAKUEQCXTHCYOP-PGMHBOJBSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.99
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'}

Analyze (Z)-3-phenoxy-1,3-diphenylprop-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

Related Compounds

(E)-4-(4-bromophenoxy)-4-phenylbut-3-en-2-one
CID 122401366
(E)-1,3-diphenyl-3-[tris(trifluoromethyl)germyloxy]prop-2-en-1-one
CID 102041821
4-[(Z)-1-difluoroboranyloxy-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 122212702
(E)-3-phenoxy-3-phenylprop-2-enenitrile
CID 66560639
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
CID 177400988
1,4-diphenylbuta-1,3-dienoxybenzene;titanium
CID 87497122

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one (CID 13085906) is (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one is O=C(/C=C(\Oc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is HAKUEQCXTHCYOP-PGMHBOJBSA-N. The full InChI is InChI=1S/C21H16O2/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-16H/b21-16-.
What are the key properties of (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one?
(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 300.36 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 13085906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).