CID 174327520

C12H11O2Sn — CID 174327520

IUPAC—
SMILESOc1ccccc1O.[Sn]c1ccccc1
InChIInChI=1S/C6H6O2.C6H5.Sn/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;/h1-4,7-8H;1-5H;
InChIKeyOORJDULZIUJIHB-UHFFFAOYSA-N
MW305.93 g/mol
LogP1.58
Rot. Bonds

About CID 174327520

CID 174327520 (PubChem CID 174327520) has the molecular formula C12H11O2Sn and a molecular weight of 305.93 g/mol.

Molecular Properties

Compound NameCID 174327520
PubChem CID174327520
Molecular FormulaC12H11O2Sn
Molecular Weight305.93 g/mol
Exact Mass306.98
IUPAC Name—
SMILESOc1ccccc1O.[Sn]c1ccccc1
InChIInChI=1S/C6H6O2.C6H5.Sn/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;/h1-4,7-8H;1-5H;
InChIKeyOORJDULZIUJIHB-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.93
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Catechol
CID 289
Pyrogallol
CID 1057
4-Fluoro-1,2-benzenediol
CID 160458
3-Fluorocatechol
CID 67764
2-Hydroxydiphenyl ether
CID 75491
2,2'-Dihydroxydiphenyl Ether
CID 565162
Pyrocatechol sulfate
CID 3083879
Phenol, reaction products with hydrogen peroxide, distn. residues
CID 175673
(4-Hydroxyphenyl)phenylarsinic acid
CID 237671
(E)-3,4-Stilbendiol
CID 10176710
3-Iodobenzene-1,2-diol
CID 18615965
3,5-Difluoro-1,2-benzenediol
CID 21707933

Frequently Asked Questions

What is the IUPAC name of CID 174327520?
The IUPAC name of CID 174327520 (CID 174327520) is not available.
What is the SMILES notation for CID 174327520?
The canonical SMILES for CID 174327520 is Oc1ccccc1O.[Sn]c1ccccc1.
What is the InChIKey of CID 174327520?
The InChIKey is OORJDULZIUJIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C6H5.Sn/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;/h1-4,7-8H;1-5H;.
What are the key properties of CID 174327520?
CID 174327520 has a molecular weight of 305.93 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174327520 is sourced from PubChem (CID 174327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).