zinc propan-2-yl 4-hydroxybenzoate

C10H12O3Zn+2 — CID 54602710

IUPACzinc propan-2-yl 4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)cc1.[Zn+2]
InChIInChI=1S/C10H12O3.Zn/c1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h3-7,11H,1-2H3;/q;+2
InChIKeyHEVMLLCEBWXMOZ-UHFFFAOYSA-N
MW245.59 g/mol
LogP1.95
Rot. Bonds2

About zinc propan-2-yl 4-hydroxybenzoate

zinc propan-2-yl 4-hydroxybenzoate (PubChem CID 54602710) has the molecular formula C10H12O3Zn+2 and a molecular weight of 245.59 g/mol. Its IUPAC name is zinc propan-2-yl 4-hydroxybenzoate.

Molecular Properties

Compound Namezinc propan-2-yl 4-hydroxybenzoate
PubChem CID54602710
Molecular FormulaC10H12O3Zn+2
Molecular Weight245.59 g/mol
Exact Mass244.01
IUPAC Namezinc propan-2-yl 4-hydroxybenzoate
SMILESCC(C)OC(=O)c1ccc(O)cc1.[Zn+2]
InChIInChI=1S/C10H12O3.Zn/c1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h3-7,11H,1-2H3;/q;+2
InChIKeyHEVMLLCEBWXMOZ-UHFFFAOYSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
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 zinc propan-2-yl 4-hydroxybenzoate?
The IUPAC name of zinc propan-2-yl 4-hydroxybenzoate (CID 54602710) is zinc propan-2-yl 4-hydroxybenzoate.
What is the SMILES notation for zinc propan-2-yl 4-hydroxybenzoate?
The canonical SMILES for zinc propan-2-yl 4-hydroxybenzoate is CC(C)OC(=O)c1ccc(O)cc1.[Zn+2].
What is the InChIKey of zinc propan-2-yl 4-hydroxybenzoate?
The InChIKey is HEVMLLCEBWXMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.Zn/c1-7(2)13-10(12)8-3-5-9(11)6-4-8;/h3-7,11H,1-2H3;/q;+2.
What are the key properties of zinc propan-2-yl 4-hydroxybenzoate?
zinc propan-2-yl 4-hydroxybenzoate has a molecular weight of 245.59 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc propan-2-yl 4-hydroxybenzoate is sourced from PubChem (CID 54602710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).