1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol

C21H26O2Si — CID 135073993

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(O)C#Cc1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)19(22)16-15-17-11-7-6-8-12-17/h6-14,19,22H,1-5H3
InChIKeyBVJLZKKRNHYSJC-UHFFFAOYSA-N
MW338.52 g/mol
LogP5.16
Rot. Bonds3

About 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol

1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol (PubChem CID 135073993) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
PubChem CID135073993
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(O)C#Cc1ccccc1
InChIInChI=1S/C21H26O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)19(22)16-15-17-11-7-6-8-12-17/h6-14,19,22H,1-5H3
InChIKeyBVJLZKKRNHYSJC-UHFFFAOYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol (CID 135073993) is 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol is CC(C)(C)[Si](C)(C)Oc1ccccc1C(O)C#Cc1ccccc1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol?
The InChIKey is BVJLZKKRNHYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)19(22)16-15-17-11-7-6-8-12-17/h6-14,19,22H,1-5H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol?
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol has a molecular weight of 338.52 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol is sourced from PubChem (CID 135073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).