4-Chlorophenyl)diphenyltin hydrate

C18H16ClOSn — CID 6337670

IUPAC—
SMILESClc1ccc([Sn](c2ccccc2)c2ccccc2)cc1.O
InChIInChI=1S/C6H4Cl.2C6H5.H2O.Sn/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;/h2-5H;2*1-5H;1H2;
InChIKeyYMVGKWPEHQVCHK-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.03
Rot. Bonds3

About 4-Chlorophenyl)diphenyltin hydrate

4-Chlorophenyl)diphenyltin hydrate (PubChem CID 6337670) has the molecular formula C18H16ClOSn and a molecular weight of 402.49 g/mol.

Molecular Properties

Compound Name4-Chlorophenyl)diphenyltin hydrate
PubChem CID6337670
Molecular FormulaC18H16ClOSn
Molecular Weight402.49 g/mol
Exact Mass402.99
IUPAC Name—
SMILESClc1ccc([Sn](c2ccccc2)c2ccccc2)cc1.O
InChIInChI=1S/C6H4Cl.2C6H5.H2O.Sn/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;/h2-5H;2*1-5H;1H2;
InChIKeyYMVGKWPEHQVCHK-UHFFFAOYSA-N
XLogP2.03
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-Chlorophenyl)diphenyltin hydrate?
The IUPAC name of 4-Chlorophenyl)diphenyltin hydrate (CID 6337670) is not available.
What is the SMILES notation for 4-Chlorophenyl)diphenyltin hydrate?
The canonical SMILES for 4-Chlorophenyl)diphenyltin hydrate is Clc1ccc([Sn](c2ccccc2)c2ccccc2)cc1.O.
What is the InChIKey of 4-Chlorophenyl)diphenyltin hydrate?
The InChIKey is YMVGKWPEHQVCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl.2C6H5.H2O.Sn/c7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;/h2-5H;2*1-5H;1H2;.
What are the key properties of 4-Chlorophenyl)diphenyltin hydrate?
4-Chlorophenyl)diphenyltin hydrate has a molecular weight of 402.49 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Chlorophenyl)diphenyltin hydrate is sourced from PubChem (CID 6337670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).