zinc;phenol;propanoate

C12H16O5Zn — CID 174753936

IUPACzinc;phenol;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].Oc1ccccc1.[Zn+2]
InChIInChI=1S/C6H6O.2C3H6O2.Zn/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h1-5,7H;2*2H2,1H3,(H,4,5);/q;;;+2/p-2
InChIKeyDSGSWHHMRBNSQA-UHFFFAOYSA-L
MW305.65 g/mol
LogP-0.32
Rot. Bonds2

About zinc;phenol;propanoate

zinc;phenol;propanoate (PubChem CID 174753936) has the molecular formula C12H16O5Zn and a molecular weight of 305.65 g/mol. Its IUPAC name is zinc;phenol;propanoate.

Molecular Properties

Compound Namezinc;phenol;propanoate
PubChem CID174753936
Molecular FormulaC12H16O5Zn
Molecular Weight305.65 g/mol
Exact Mass304.03
IUPAC Namezinc;phenol;propanoate
SMILESCCC(=O)[O-].CCC(=O)[O-].Oc1ccccc1.[Zn+2]
InChIInChI=1S/C6H6O.2C3H6O2.Zn/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h1-5,7H;2*2H2,1H3,(H,4,5);/q;;;+2/p-2
InChIKeyDSGSWHHMRBNSQA-UHFFFAOYSA-L
XLogP-0.32
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze zinc;phenol;propanoate 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

phenol;propanoyl chloride
CID 174946561
disodium;phenol;carbonate
CID 161303410
benzene;phenol;propane
CID 157176896
phenyltin(3+);propanoate
CID 157164859
methanol;phenol;propane
CID 91268562
acetic acid;phenol
CID 70537927
2-methylidenebutanoic acid;phenol;hydrate
CID 158804771
phenol;propan-2-one;hydrate
CID 161159865
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
propanoate;trimethyl(phenyl)azanium
CID 70571170
molecular oxygen;phenol
CID 141080591

Frequently Asked Questions

What is the IUPAC name of zinc;phenol;propanoate?
The IUPAC name of zinc;phenol;propanoate (CID 174753936) is zinc;phenol;propanoate.
What is the SMILES notation for zinc;phenol;propanoate?
The canonical SMILES for zinc;phenol;propanoate is CCC(=O)[O-].CCC(=O)[O-].Oc1ccccc1.[Zn+2].
What is the InChIKey of zinc;phenol;propanoate?
The InChIKey is DSGSWHHMRBNSQA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O.2C3H6O2.Zn/c7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h1-5,7H;2*2H2,1H3,(H,4,5);/q;;;+2/p-2.
What are the key properties of zinc;phenol;propanoate?
zinc;phenol;propanoate has a molecular weight of 305.65 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;phenol;propanoate is sourced from PubChem (CID 174753936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).