[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate

C37H39ClO6Sn — CID 141374137

IUPAC[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)O[Sn](Cc2ccccc2Cl)(OC(=O)c2c(C)cc(C)cc2C)OC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/3C10H12O2.C7H6Cl.Sn/c3*1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-4-2-3-5-7(6)8;/h3*4-5H,1-3H3,(H,11,12);2-5H,1H2;/q;;;;+3/p-3
InChIKeyHXVODKGKAQMCHI-UHFFFAOYSA-K
MW733.88 g/mol
LogP8.71
Rot. Bonds8

About [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate

[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate (PubChem CID 141374137) has the molecular formula C37H39ClO6Sn and a molecular weight of 733.88 g/mol. Its IUPAC name is [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate
PubChem CID141374137
Molecular FormulaC37H39ClO6Sn
Molecular Weight733.88 g/mol
Exact Mass734.15
IUPAC Name[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)O[Sn](Cc2ccccc2Cl)(OC(=O)c2c(C)cc(C)cc2C)OC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/3C10H12O2.C7H6Cl.Sn/c3*1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-4-2-3-5-7(6)8;/h3*4-5H,1-3H3,(H,11,12);2-5H,1H2;/q;;;;+3/p-3
InChIKeyHXVODKGKAQMCHI-UHFFFAOYSA-K
XLogP8.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.88
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate 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

Bms641
CID 22737393
1-(2-Carboxy-3-chloronaphthalen-1-yl)-3-chloronaphthalene-2-carboxylic acid
CID 15400098
6-(3-Chloro-7,8-dimethylnaphthalen-2-yl)-5-fluoronaphthalene-2-carboxylic acid
CID 20456581
6-(3-Chloro-5,6,7,8-tetramethylnaphthalen-2-yl)-5-fluoronaphthalene-2-carboxylic acid
CID 20456584
6-(3-Chloro-5,6,7,8-tetramethylnaphthalen-2-yl)-4-fluoronaphthalene-2-carboxylic acid
CID 20456585
6-(3-Chloro-7,8-dimethylnaphthalen-2-yl)-4-fluoronaphthalene-2-carboxylic acid
CID 20456594
5-[2-Carboxy-3-(2-carboxy-5-chlorophenyl)-5-fluorophenyl]-2-(2-carboxy-4-chlorophenyl)-3-(2-carboxy-3-fluorophenyl)-4-chlorobenzoic acid
CID 54500141
Methyl 4-[3-[2-(benzoyloxymethyl)-4-(trifluoromethyl)phenyl]-4-chlorophenyl]-3-methylbenzoate
CID 57704774
8-(2-Chloro-4-fluorophenyl)naphthalene-2-carboxylic acid
CID 58553471
8-(2-Chloro-6-fluorophenyl)naphthalene-2-carboxylic acid
CID 58553601
8-(2-Chloro-5-fluorophenyl)naphthalene-2-carboxylic acid
CID 58553615
Methyl 8-(2-chloro-6-fluorophenyl)-2-naphthalene carboxylate
CID 58553754

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate (CID 141374137) is [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)O[Sn](Cc2ccccc2Cl)(OC(=O)c2c(C)cc(C)cc2C)OC(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate?
The InChIKey is HXVODKGKAQMCHI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H12O2.C7H6Cl.Sn/c3*1-6-4-7(2)9(10(11)12)8(3)5-6;1-6-4-2-3-5-7(6)8;/h3*4-5H,1-3H3,(H,11,12);2-5H,1H2;/q;;;;+3/p-3.
What are the key properties of [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate?
[(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate has a molecular weight of 733.88 g/mol, XLogP of 8.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)methyl-bis[(2,4,6-trimethylbenzoyl)oxy]stannyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 141374137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).