2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol

C13H21ClO2Si — CID 106324290

IUPAC2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
SMILESC[Si](C)(C)CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C13H21ClO2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7,15-16H,8-10H2,1-3H3
InChIKeyLYEMAAKFXVYLFT-UHFFFAOYSA-N
MW272.85 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol

2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol (PubChem CID 106324290) has the molecular formula C13H21ClO2Si and a molecular weight of 272.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
PubChem CID106324290
Molecular FormulaC13H21ClO2Si
Molecular Weight272.85 g/mol
Exact Mass272.10
IUPAC Name2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
SMILESC[Si](C)(C)CC(CO)(CO)c1ccccc1Cl
InChIInChI=1S/C13H21ClO2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7,15-16H,8-10H2,1-3H3
InChIKeyLYEMAAKFXVYLFT-UHFFFAOYSA-N
XLogP2.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

o-Chlorophenethylic alcohol
CID 88266
1,3-Propanediol, 2-(p-chlorophenyl)-2-ethyl-
CID 117493
2-(4-Chlorophenyl)-2-methylpropanol
CID 13034557
1,3-Propanediol, 2-(4-chlorophenyl)-
CID 10987013
(1S)-1-(2-Chlorophenyl)-2,2-dimethyl-1,3-propanediol
CID 10998400
1-(2-Chlorophenyl)-2-propanol
CID 12499850
(2R)-1-(2-chlorophenyl)propan-2-ol
CID 39236330
2-(4-Chlorophenyl)-2-methylbut-3-en-1-ol
CID 129822807
(1R,2R)-1-(2-chlorophenyl)-2-propan-2-ylpropane-1,3-diol
CID 135007218
2-(4-Chlorophenyl)-3-fluoro-2-methylpropan-1-ol
CID 14032854
2-(2-Chloro-5-fluorophenyl)propan-1-ol
CID 117281258
2-(2-Chloro-6-fluorophenyl)propan-1-ol
CID 117281260

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The IUPAC name of 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol (CID 106324290) is 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol is C[Si](C)(C)CC(CO)(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The InChIKey is LYEMAAKFXVYLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO2Si/c1-17(2,3)10-13(8-15,9-16)11-6-4-5-7-12(11)14/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol has a molecular weight of 272.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol is sourced from PubChem (CID 106324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).