3-(1-trimethylsilylpropyl)benzene-1,2-diol

C12H20O2Si — CID 174652622

IUPAC3-(1-trimethylsilylpropyl)benzene-1,2-diol
SMILESCCC(c1cccc(O)c1O)[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-5-11(15(2,3)4)9-7-6-8-10(13)12(9)14/h6-8,11,13-14H,5H2,1-4H3
InChIKeyXKBPIXIOGWGNAH-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.47
Rot. Bonds3

About 3-(1-trimethylsilylpropyl)benzene-1,2-diol

3-(1-trimethylsilylpropyl)benzene-1,2-diol (PubChem CID 174652622) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 3-(1-trimethylsilylpropyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(1-trimethylsilylpropyl)benzene-1,2-diol
PubChem CID174652622
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name3-(1-trimethylsilylpropyl)benzene-1,2-diol
SMILESCCC(c1cccc(O)c1O)[Si](C)(C)C
InChIInChI=1S/C12H20O2Si/c1-5-11(15(2,3)4)9-7-6-8-10(13)12(9)14/h6-8,11,13-14H,5H2,1-4H3
InChIKeyXKBPIXIOGWGNAH-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.47
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
3-(2-hydroxypentan-3-yl)benzene-1,2-diol
CID 174450984
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
3-(dihydroxymethyl)benzene-1,2-diol
CID 22263395
3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol
CID 174741450
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
3-[2-[2,2-bis(2,3-dihydroxyphenyl)ethoxy]-1-(2,3-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 150382081
3-[(1S)-1-aminopentyl]benzene-1,2-diol;hydrochloride
CID 171220529
3-undecan-2-ylbenzene-1,2-diol
CID 139758320
3-[(1R)-1-aminopentyl]benzene-1,2-diol;hydrochloride
CID 171200994
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230

Frequently Asked Questions

What is the IUPAC name of 3-(1-trimethylsilylpropyl)benzene-1,2-diol?
The IUPAC name of 3-(1-trimethylsilylpropyl)benzene-1,2-diol (CID 174652622) is 3-(1-trimethylsilylpropyl)benzene-1,2-diol.
What is the SMILES notation for 3-(1-trimethylsilylpropyl)benzene-1,2-diol?
The canonical SMILES for 3-(1-trimethylsilylpropyl)benzene-1,2-diol is CCC(c1cccc(O)c1O)[Si](C)(C)C.
What is the InChIKey of 3-(1-trimethylsilylpropyl)benzene-1,2-diol?
The InChIKey is XKBPIXIOGWGNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-5-11(15(2,3)4)9-7-6-8-10(13)12(9)14/h6-8,11,13-14H,5H2,1-4H3.
What are the key properties of 3-(1-trimethylsilylpropyl)benzene-1,2-diol?
3-(1-trimethylsilylpropyl)benzene-1,2-diol has a molecular weight of 224.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-trimethylsilylpropyl)benzene-1,2-diol is sourced from PubChem (CID 174652622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).