4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol

C22H32O5Si — CID 150362779

IUPAC4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol
SMILESCO[Si](OCC(C)c1ccc(O)cc1)(OC(C)(C)C)C(C)c1ccc(O)cc1
InChIInChI=1S/C22H32O5Si/c1-16(18-7-11-20(23)12-8-18)15-26-28(25-6,27-22(3,4)5)17(2)19-9-13-21(24)14-10-19/h7-14,16-17,23-24H,15H2,1-6H3
InChIKeyGWBFQMOZBVHGIF-UHFFFAOYSA-N
MW404.58 g/mol
LogP4.96
Rot. Bonds8

About 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol

4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol (PubChem CID 150362779) has the molecular formula C22H32O5Si and a molecular weight of 404.58 g/mol. Its IUPAC name is 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol
PubChem CID150362779
Molecular FormulaC22H32O5Si
Molecular Weight404.58 g/mol
Exact Mass404.20
IUPAC Name4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol
SMILESCO[Si](OCC(C)c1ccc(O)cc1)(OC(C)(C)C)C(C)c1ccc(O)cc1
InChIInChI=1S/C22H32O5Si/c1-16(18-7-11-20(23)12-8-18)15-26-28(25-6,27-22(3,4)5)17(2)19-9-13-21(24)14-10-19/h7-14,16-17,23-24H,15H2,1-6H3
InChIKeyGWBFQMOZBVHGIF-UHFFFAOYSA-N
XLogP4.96
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol?
The IUPAC name of 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol (CID 150362779) is 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol.
What is the SMILES notation for 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol?
The canonical SMILES for 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol is CO[Si](OCC(C)c1ccc(O)cc1)(OC(C)(C)C)C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol?
The InChIKey is GWBFQMOZBVHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O5Si/c1-16(18-7-11-20(23)12-8-18)15-26-28(25-6,27-22(3,4)5)17(2)19-9-13-21(24)14-10-19/h7-14,16-17,23-24H,15H2,1-6H3.
What are the key properties of 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol?
4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol has a molecular weight of 404.58 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-hydroxyphenyl)ethyl-methoxy-[(2-methylpropan-2-yl)oxy]silyl]oxypropan-2-yl]phenol is sourced from PubChem (CID 150362779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).