2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol

C13H21BrO2Si — CID 106324292

IUPAC2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
SMILESC[Si](C)(C)CC(CO)(CO)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrO2Si/c1-17(2,3)10-13(8-15,9-16)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyTYMRUNYNHNKBPL-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol

2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol (PubChem CID 106324292) has the molecular formula C13H21BrO2Si and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
PubChem CID106324292
Molecular FormulaC13H21BrO2Si
Molecular Weight317.30 g/mol
Exact Mass316.05
IUPAC Name2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
SMILESC[Si](C)(C)CC(CO)(CO)c1ccc(Br)cc1
InChIInChI=1S/C13H21BrO2Si/c1-17(2,3)10-13(8-15,9-16)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyTYMRUNYNHNKBPL-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The IUPAC name of 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol (CID 106324292) is 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol is C[Si](C)(C)CC(CO)(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
The InChIKey is TYMRUNYNHNKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO2Si/c1-17(2,3)10-13(8-15,9-16)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol?
2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol has a molecular weight of 317.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol is sourced from PubChem (CID 106324292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).