3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol

C19H26OSi — CID 172701071

IUPAC3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol
SMILESCc1cc(O)c(-c2ccccc2)c([Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H26OSi/c1-14-12-16(20)18(15-10-8-7-9-11-15)17(13-14)21(5,6)19(2,3)4/h7-13,20H,1-6H3
InChIKeyQLHHMDMOIBAFNP-UHFFFAOYSA-N
MW298.50 g/mol
LogP5.08
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol

3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol (PubChem CID 172701071) has the molecular formula C19H26OSi and a molecular weight of 298.50 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol
PubChem CID172701071
Molecular FormulaC19H26OSi
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol
SMILESCc1cc(O)c(-c2ccccc2)c([Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H26OSi/c1-14-12-16(20)18(15-10-8-7-9-11-15)17(13-14)21(5,6)19(2,3)4/h7-13,20H,1-6H3
InChIKeyQLHHMDMOIBAFNP-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol (CID 172701071) is 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol is Cc1cc(O)c(-c2ccccc2)c([Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol?
The InChIKey is QLHHMDMOIBAFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26OSi/c1-14-12-16(20)18(15-10-8-7-9-11-15)17(13-14)21(5,6)19(2,3)4/h7-13,20H,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol?
3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol has a molecular weight of 298.50 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-5-methyl-2-phenylphenol is sourced from PubChem (CID 172701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).