2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol

C17H26OSi — CID 178189120

IUPAC2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol
SMILESCC[Si](C#Cc1ccc(C(C)(C)O)cc1)(CC)CC
InChIInChI=1S/C17H26OSi/c1-6-19(7-2,8-3)14-13-15-9-11-16(12-10-15)17(4,5)18/h9-12,18H,6-8H2,1-5H3
InChIKeyQIMDTVNNPNXTTL-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.31
Rot. Bonds4

About 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol

2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol (PubChem CID 178189120) has the molecular formula C17H26OSi and a molecular weight of 274.48 g/mol. Its IUPAC name is 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol
PubChem CID178189120
Molecular FormulaC17H26OSi
Molecular Weight274.48 g/mol
Exact Mass274.18
IUPAC Name2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol
SMILESCC[Si](C#Cc1ccc(C(C)(C)O)cc1)(CC)CC
InChIInChI=1S/C17H26OSi/c1-6-19(7-2,8-3)14-13-15-9-11-16(12-10-15)17(4,5)18/h9-12,18H,6-8H2,1-5H3
InChIKeyQIMDTVNNPNXTTL-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,4',4''-Trimethyltrityl alcohol
CID 76733
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511
Gossonorol
CID 185199
alpha-Cyclopropyl-alpha,4-dimethylbenzenemethanol
CID 98258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol (CID 178189120) is 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol is CC[Si](C#Cc1ccc(C(C)(C)O)cc1)(CC)CC.
What is the InChIKey of 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol?
The InChIKey is QIMDTVNNPNXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26OSi/c1-6-19(7-2,8-3)14-13-15-9-11-16(12-10-15)17(4,5)18/h9-12,18H,6-8H2,1-5H3.
What are the key properties of 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol?
2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol has a molecular weight of 274.48 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-triethylsilylethynyl)phenyl]propan-2-ol is sourced from PubChem (CID 178189120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).