3-[(3-hydroxyphenyl)-diphenylstannyl]phenol

C24H20O2Sn — CID 4253186

IUPAC3-[(3-hydroxyphenyl)-diphenylstannyl]phenol
SMILESOc1cccc([Sn](c2ccccc2)(c2ccccc2)c2cccc(O)c2)c1
InChIInChI=1S/2C6H5O.2C6H5.Sn/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-2,4-5,7H;2*1-5H;
InChIKeyGXZNLHUMKIIPJB-UHFFFAOYSA-N
MW459.13 g/mol
LogP2.48
Rot. Bonds4

About 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol

3-[(3-hydroxyphenyl)-diphenylstannyl]phenol (PubChem CID 4253186) has the molecular formula C24H20O2Sn and a molecular weight of 459.13 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)-diphenylstannyl]phenol
PubChem CID4253186
Molecular FormulaC24H20O2Sn
Molecular Weight459.13 g/mol
Exact Mass460.05
IUPAC Name3-[(3-hydroxyphenyl)-diphenylstannyl]phenol
SMILESOc1cccc([Sn](c2ccccc2)(c2ccccc2)c2cccc(O)c2)c1
InChIInChI=1S/2C6H5O.2C6H5.Sn/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-2,4-5,7H;2*1-5H;
InChIKeyGXZNLHUMKIIPJB-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.13
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol?
The IUPAC name of 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol (CID 4253186) is 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol.
What is the SMILES notation for 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol?
The canonical SMILES for 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol is Oc1cccc([Sn](c2ccccc2)(c2ccccc2)c2cccc(O)c2)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol?
The InChIKey is GXZNLHUMKIIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O.2C6H5.Sn/c2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-2,4-5,7H;2*1-5H;.
What are the key properties of 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol?
3-[(3-hydroxyphenyl)-diphenylstannyl]phenol has a molecular weight of 459.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)-diphenylstannyl]phenol is sourced from PubChem (CID 4253186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).