chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver

C30H33AgCl2IO8P2 — CID 158261759

IUPACchloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
SMILESClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(OCCl)(OCc1ccccc1)OCc1ccccc1.[Ag]
InChIInChI=1S/C15H16ClO4P.C14H15O4P.CH2ClI.Ag/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;2-1-3;/h1-10H,11-13H2;1-10H,11-12H2,(H,15,16);1H2;
InChIKeyVKUKDEYZFNCJAZ-UHFFFAOYSA-N
MW889.21 g/mol
LogP9.88
Rot. Bonds14

About chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver

chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver (PubChem CID 158261759) has the molecular formula C30H33AgCl2IO8P2 and a molecular weight of 889.21 g/mol. Its IUPAC name is chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver.

Molecular Properties

Compound Namechloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
PubChem CID158261759
Molecular FormulaC30H33AgCl2IO8P2
Molecular Weight889.21 g/mol
Exact Mass886.91
IUPAC Namechloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
SMILESClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(OCCl)(OCc1ccccc1)OCc1ccccc1.[Ag]
InChIInChI=1S/C15H16ClO4P.C14H15O4P.CH2ClI.Ag/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;2-1-3;/h1-10H,11-13H2;1-10H,11-12H2,(H,15,16);1H2;
InChIKeyVKUKDEYZFNCJAZ-UHFFFAOYSA-N
XLogP9.88
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.21
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 161189839
chloromethyl phenylmethoxy hydrogen phosphate
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benzyl tert-butyl hydrogen phosphate
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dibenzyl hydrogen phosphate;dibenzyl phosphate;bis(tetramethylazanium);hydroxide
CID 160798114
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CID 87473581
dibenzyl benzylperoxymethyl phosphate
CID 138564478
dibenzyl [(1R,2S,3R,4S,5S,6R)-2-bis(phenylmethoxy)phosphoryloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] phosphate
CID 10629497
3-aminopropyl dibenzyl phosphate;3-aminopropyl dihydrogen phosphate
CID 159834846

Frequently Asked Questions

What is the IUPAC name of chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver?
The IUPAC name of chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver (CID 158261759) is chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver.
What is the SMILES notation for chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver?
The canonical SMILES for chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver is ClCI.O=P(O)(OCc1ccccc1)OCc1ccccc1.O=P(OCCl)(OCc1ccccc1)OCc1ccccc1.[Ag].
What is the InChIKey of chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver?
The InChIKey is VKUKDEYZFNCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClO4P.C14H15O4P.CH2ClI.Ag/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15;15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;2-1-3;/h1-10H,11-13H2;1-10H,11-12H2,(H,15,16);1H2;.
What are the key properties of chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver?
chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver has a molecular weight of 889.21 g/mol, XLogP of 9.88, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver is sourced from PubChem (CID 158261759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).