5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol

C23H32O3Si — CID 52951657

IUPAC5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-11-9-19(10-12-23)7-8-20-13-21(24)15-22(25)14-20/h7-18,24-25H,1-6H3/b8-7+
InChIKeyHFQRXPHSAFFEHC-BQYQJAHWSA-N
MW384.59 g/mol
LogP6.82
Rot. Bonds7

About 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol

5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol (PubChem CID 52951657) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol
PubChem CID52951657
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol
SMILESCC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)(C(C)C)C(C)C
InChIInChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-11-9-19(10-12-23)7-8-20-13-21(24)15-22(25)14-20/h7-18,24-25H,1-6H3/b8-7+
InChIKeyHFQRXPHSAFFEHC-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 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol (CID 52951657) is 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol is CC(C)[Si](Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1)(C(C)C)C(C)C.
What is the InChIKey of 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol?
The InChIKey is HFQRXPHSAFFEHC-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-16(2)27(17(3)4,18(5)6)26-23-11-9-19(10-12-23)7-8-20-13-21(24)15-22(25)14-20/h7-18,24-25H,1-6H3/b8-7+.
What are the key properties of 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol?
5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol 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 5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]benzene-1,3-diol is sourced from PubChem (CID 52951657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).