3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol

C23H32O3Si — CID 164612028

IUPAC3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol
SMILESCC(C)[Si](Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-14-20(13-22(25)15-23)8-7-19-9-11-21(24)12-10-19/h7-18,24-25H,1-6H3/b8-7+
InChIKeyHFSZAXDUHRZQHM-BQYQJAHWSA-N
MW384.59 g/mol
LogP6.82
Rot. Bonds7

About 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol (PubChem CID 164612028) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol
PubChem CID164612028
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol
SMILESCC(C)[Si](Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-14-20(13-22(25)15-23)8-7-19-9-11-21(24)12-10-19/h7-18,24-25H,1-6H3/b8-7+
InChIKeyHFSZAXDUHRZQHM-BQYQJAHWSA-N
XLogP6.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol?
The IUPAC name of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol (CID 164612028) is 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol.
What is the SMILES notation for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol?
The canonical SMILES for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol is CC(C)[Si](Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1)(C(C)C)C(C)C.
What is the InChIKey of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol?
The InChIKey is HFSZAXDUHRZQHM-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-14-20(13-22(25)15-23)8-7-19-9-11-21(24)12-10-19/h7-18,24-25H,1-6H3/b8-7+.
What are the key properties of 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol?
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol has a molecular weight of 384.59 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-tri(propan-2-yl)silyloxyphenol is sourced from PubChem (CID 164612028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).