1-phenyl-3-trimethylsilyloxypropan-1-ol

C12H20O2Si — CID 100965163

IUPAC1-phenyl-3-trimethylsilyloxypropan-1-ol
SMILESC[Si](C)(C)OCCC(O)c1ccccc1
InChIInChI=1S/C12H20O2Si/c1-15(2,3)14-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyVZNJHTZNXKGWHQ-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.96
Rot. Bonds5

About 1-phenyl-3-trimethylsilyloxypropan-1-ol

1-phenyl-3-trimethylsilyloxypropan-1-ol (PubChem CID 100965163) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 1-phenyl-3-trimethylsilyloxypropan-1-ol.

Molecular Properties

Compound Name1-phenyl-3-trimethylsilyloxypropan-1-ol
PubChem CID100965163
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name1-phenyl-3-trimethylsilyloxypropan-1-ol
SMILESC[Si](C)(C)OCCC(O)c1ccccc1
InChIInChI=1S/C12H20O2Si/c1-15(2,3)14-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyVZNJHTZNXKGWHQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpentoxy)-1-phenylpropan-1-ol
CID 103284714
(3-hydroxy-3-phenylpropyl) formate
CID 11206132
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
benzene;2-methoxy-1-phenylethanol
CID 174622919
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(1S)-1-phenylpentan-1-ol
CID 6992754
3-[ethyl(propoxy)silyl]oxy-1-phenylpropan-1-ol
CID 154001294
1-phenylpropane-1,3-diol
CID 572059
1,4,4-triphenylbutan-1-ol
CID 141326006
5-methyl-1-phenylhexan-1-ol
CID 10997859
2-amino-1-phenylethanol;ethane
CID 91425169
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-trimethylsilyloxypropan-1-ol?
The IUPAC name of 1-phenyl-3-trimethylsilyloxypropan-1-ol (CID 100965163) is 1-phenyl-3-trimethylsilyloxypropan-1-ol.
What is the SMILES notation for 1-phenyl-3-trimethylsilyloxypropan-1-ol?
The canonical SMILES for 1-phenyl-3-trimethylsilyloxypropan-1-ol is C[Si](C)(C)OCCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-trimethylsilyloxypropan-1-ol?
The InChIKey is VZNJHTZNXKGWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-15(2,3)14-10-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of 1-phenyl-3-trimethylsilyloxypropan-1-ol?
1-phenyl-3-trimethylsilyloxypropan-1-ol has a molecular weight of 224.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-trimethylsilyloxypropan-1-ol is sourced from PubChem (CID 100965163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).