phenyl 4-(2-stibanylpropan-2-yl)benzoate

C16H17O2Sb — CID 87141124

IUPACphenyl 4-(2-stibanylpropan-2-yl)benzoate
SMILESCC(C)([SbH2])c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H15O2.Sb.2H/c1-12(2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15;;;/h3-11H,1-2H3;;;
InChIKeyWNEMRSKZPOOPII-UHFFFAOYSA-N
MW363.07 g/mol
LogP2.77
Rot. Bonds3

About phenyl 4-(2-stibanylpropan-2-yl)benzoate

phenyl 4-(2-stibanylpropan-2-yl)benzoate (PubChem CID 87141124) has the molecular formula C16H17O2Sb and a molecular weight of 363.07 g/mol. Its IUPAC name is phenyl 4-(2-stibanylpropan-2-yl)benzoate.

Molecular Properties

Compound Namephenyl 4-(2-stibanylpropan-2-yl)benzoate
PubChem CID87141124
Molecular FormulaC16H17O2Sb
Molecular Weight363.07 g/mol
Exact Mass362.03
IUPAC Namephenyl 4-(2-stibanylpropan-2-yl)benzoate
SMILESCC(C)([SbH2])c1ccc(C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H15O2.Sb.2H/c1-12(2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15;;;/h3-11H,1-2H3;;;
InChIKeyWNEMRSKZPOOPII-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-tert-butylbenzoate
CID 733785
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
phenyl 4-(2-methylbutan-2-yl)benzoate
CID 67160736
[4-[1,1-bis(4-benzoyloxyphenyl)ethyl]phenyl] benzoate
CID 19918778
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
[4-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl] benzoate
CID 22959507
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
(4-tert-butylphenyl) 4-chlorobenzoate
CID 587391

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-stibanylpropan-2-yl)benzoate?
The IUPAC name of phenyl 4-(2-stibanylpropan-2-yl)benzoate (CID 87141124) is phenyl 4-(2-stibanylpropan-2-yl)benzoate.
What is the SMILES notation for phenyl 4-(2-stibanylpropan-2-yl)benzoate?
The canonical SMILES for phenyl 4-(2-stibanylpropan-2-yl)benzoate is CC(C)([SbH2])c1ccc(C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 4-(2-stibanylpropan-2-yl)benzoate?
The InChIKey is WNEMRSKZPOOPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15O2.Sb.2H/c1-12(2)13-8-10-14(11-9-13)16(17)18-15-6-4-3-5-7-15;;;/h3-11H,1-2H3;;;.
What are the key properties of phenyl 4-(2-stibanylpropan-2-yl)benzoate?
phenyl 4-(2-stibanylpropan-2-yl)benzoate has a molecular weight of 363.07 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-stibanylpropan-2-yl)benzoate is sourced from PubChem (CID 87141124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).