[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate

C28H24ClO4Sb — CID 16707993

IUPAC[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[Sb](Cl)(OC(=O)c1ccccc1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C8H8O2.2C6H5.ClH.Sb/c2*1-6-4-2-3-5-7(6)8(9)10;2*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,9,10);2*1-5H;1H;/q;;;;;+3/p-3
InChIKeyIMFKJBCDYSTHNJ-UHFFFAOYSA-K
MW581.71 g/mol
LogP5.26
Rot. Bonds6

About [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate

[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate (PubChem CID 16707993) has the molecular formula C28H24ClO4Sb and a molecular weight of 581.71 g/mol. Its IUPAC name is [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate.

Molecular Properties

Compound Name[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate
PubChem CID16707993
Molecular FormulaC28H24ClO4Sb
Molecular Weight581.71 g/mol
Exact Mass580.04
IUPAC Name[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[Sb](Cl)(OC(=O)c1ccccc1C)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C8H8O2.2C6H5.ClH.Sb/c2*1-6-4-2-3-5-7(6)8(9)10;2*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,9,10);2*1-5H;1H;/q;;;;;+3/p-3
InChIKeyIMFKJBCDYSTHNJ-UHFFFAOYSA-K
XLogP5.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Zinc naphthenate
CID 13879901
[1,1'-Binaphthalene]-8,8'-dicarboxylic acid
CID 94908
Dibenzyl phthalate
CID 220773
1,1'-Binaphthyl-2,2'-dicarboxylic acid
CID 2810167
Cobaltous 2-naphthenic acid
CID 14048876
Aluminum benzoate
CID 68387
Stannane, benzoyloxytriphenyl-
CID 16684201
Magnesium naphthenate
CID 21264818
Lead naphthenates
CID 25021832
Calcium naphthenate
CID 20138397
Naphthalene-1-carbonyl naphthalene-1-carboxylate
CID 350399
ACS No 174
CID 6951338

Frequently Asked Questions

What is the IUPAC name of [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate?
The IUPAC name of [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate (CID 16707993) is [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate.
What is the SMILES notation for [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate?
The canonical SMILES for [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate is Cc1ccccc1C(=O)O[Sb](Cl)(OC(=O)c1ccccc1C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate?
The InChIKey is IMFKJBCDYSTHNJ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H8O2.2C6H5.ClH.Sb/c2*1-6-4-2-3-5-7(6)8(9)10;2*1-2-4-6-5-3-1;;/h2*2-5H,1H3,(H,9,10);2*1-5H;1H;/q;;;;;+3/p-3.
What are the key properties of [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate?
[chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate has a molecular weight of 581.71 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(2-methylbenzoyl)oxy-diphenyl-λ5-stibanyl] 2-methylbenzoate is sourced from PubChem (CID 16707993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).