bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc

C30H24O4Zn — CID 5369713

IUPACbis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
SMILESO=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Zn]
InChIInChI=1S/2C15H12O2.Zn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/b2*14-11-;
InChIKeySUARMEZLWZKBLT-AGIYBIRKSA-N
MW513.91 g/mol
LogP6.93
Rot. Bonds6

About bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc

bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc (PubChem CID 5369713) has the molecular formula C30H24O4Zn and a molecular weight of 513.91 g/mol. Its IUPAC name is bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc.

Molecular Properties

Compound Namebis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
PubChem CID5369713
Molecular FormulaC30H24O4Zn
Molecular Weight513.91 g/mol
Exact Mass512.10
IUPAC Namebis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
SMILESO=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Zn]
InChIInChI=1S/2C15H12O2.Zn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/b2*14-11-;
InChIKeySUARMEZLWZKBLT-AGIYBIRKSA-N
XLogP6.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.91
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc 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

bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
CID 6477793
CID 6477793
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
CID 142102449
(Z)-3-hydroxy-1-[4-[13-[4-[(E)-3-hydroxy-3-phenylprop-2-enoyl]phenyl]tridecyl]phenyl]-3-phenylprop-2-en-1-one
CID 21160370
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
3-hydroxy-1,3-bis(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one
CID 101012654
(Z)-1-(4-tert-butylphenyl)-3-[4-[(Z)-3-(4-tert-butylphenyl)-1-hydroxy-3-oxoprop-1-enyl]phenyl]-3-hydroxyprop-2-en-1-one
CID 122387607
4-hydroxy-4-[4-(1,2,2-triphenylethenyl)phenyl]but-3-en-2-one
CID 175049722
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenylprop-2-en-1-one
CID 6947542

Frequently Asked Questions

What is the IUPAC name of bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc?
The IUPAC name of bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc (CID 5369713) is bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc.
What is the SMILES notation for bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc?
The canonical SMILES for bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc is O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Zn].
What is the InChIKey of bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc?
The InChIKey is SUARMEZLWZKBLT-AGIYBIRKSA-N. The full InChI is InChI=1S/2C15H12O2.Zn/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h2*1-11,16H;/b2*14-11-;.
What are the key properties of bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc?
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc has a molecular weight of 513.91 g/mol, XLogP of 6.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc is sourced from PubChem (CID 5369713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).