bis(propan-2-yl 4-hydroxybenzoate);zinc

C20H24O6Zn — CID 122130630

IUPACbis(propan-2-yl 4-hydroxybenzoate);zinc
SMILESCC(C)OC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1.[Zn]
InChIInChI=1S/2C10H12O3.Zn/c2*1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h2*3-7,11H,1-2H3;
InChIKeyGFTOJLRKENXRDZ-UHFFFAOYSA-N
MW425.80 g/mol
LogP3.91
Rot. Bonds4

About bis(propan-2-yl 4-hydroxybenzoate);zinc

bis(propan-2-yl 4-hydroxybenzoate);zinc (PubChem CID 122130630) has the molecular formula C20H24O6Zn and a molecular weight of 425.80 g/mol. Its IUPAC name is bis(propan-2-yl 4-hydroxybenzoate);zinc.

Molecular Properties

Compound Namebis(propan-2-yl 4-hydroxybenzoate);zinc
PubChem CID122130630
Molecular FormulaC20H24O6Zn
Molecular Weight425.80 g/mol
Exact Mass424.09
IUPAC Namebis(propan-2-yl 4-hydroxybenzoate);zinc
SMILESCC(C)OC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1.[Zn]
InChIInChI=1S/2C10H12O3.Zn/c2*1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h2*3-7,11H,1-2H3;
InChIKeyGFTOJLRKENXRDZ-UHFFFAOYSA-N
XLogP3.91
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(propan-2-yl 4-hydroxybenzoate);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

zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
1-fluoroethyl 4-hydroxybenzoate
CID 175530732
propan-2-yl 4-acetylbenzoate
CID 10878303
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
propan-2-yl 4-carbonochloridoylbenzoate
CID 91331513
1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133591

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-yl 4-hydroxybenzoate);zinc?
The IUPAC name of bis(propan-2-yl 4-hydroxybenzoate);zinc (CID 122130630) is bis(propan-2-yl 4-hydroxybenzoate);zinc.
What is the SMILES notation for bis(propan-2-yl 4-hydroxybenzoate);zinc?
The canonical SMILES for bis(propan-2-yl 4-hydroxybenzoate);zinc is CC(C)OC(=O)c1ccc(O)cc1.CC(C)OC(=O)c1ccc(O)cc1.[Zn].
What is the InChIKey of bis(propan-2-yl 4-hydroxybenzoate);zinc?
The InChIKey is GFTOJLRKENXRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12O3.Zn/c2*1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h2*3-7,11H,1-2H3;.
What are the key properties of bis(propan-2-yl 4-hydroxybenzoate);zinc?
bis(propan-2-yl 4-hydroxybenzoate);zinc has a molecular weight of 425.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-yl 4-hydroxybenzoate);zinc is sourced from PubChem (CID 122130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).