[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol

C8H9Cl3O2Si — CID 172526122

IUPAC[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol
SMILESOCc1cc(CO)cc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C8H9Cl3O2Si/c9-14(10,11)8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2
InChIKeyIIGKOEJMDYHVII-UHFFFAOYSA-N
MW271.60 g/mol
LogP1.53
Rot. Bonds3

About [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol

[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol (PubChem CID 172526122) has the molecular formula C8H9Cl3O2Si and a molecular weight of 271.60 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol
PubChem CID172526122
Molecular FormulaC8H9Cl3O2Si
Molecular Weight271.60 g/mol
Exact Mass269.94
IUPAC Name[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol
SMILESOCc1cc(CO)cc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C8H9Cl3O2Si/c9-14(10,11)8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2
InChIKeyIIGKOEJMDYHVII-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol (CID 172526122) is [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol is OCc1cc(CO)cc([Si](Cl)(Cl)Cl)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol?
The InChIKey is IIGKOEJMDYHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3O2Si/c9-14(10,11)8-2-6(4-12)1-7(3-8)5-13/h1-3,12-13H,4-5H2.
What are the key properties of [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol?
[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol has a molecular weight of 271.60 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol is sourced from PubChem (CID 172526122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).