[3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate

C81H90N2O10Si — CID 54437365

About [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate

[3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate (PubChem CID 54437365) has the molecular formula C81H90N2O10Si and a molecular weight of 1279.70 g/mol. Its IUPAC name is [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate
• PubChem CID: 54437365
• Molecular Formula: C81H90N2O10Si
• Molecular Weight: 1279.70 g/mol
• Exact Mass: 1278.64
• IUPAC Name: [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate
• SMILES: CC(=O)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C(c1ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc1)=C2C.CC1=C(c2ccc(O)cc2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21
• InChI: InChI=1S/C47H51NO5Si.C34H39NO5/c1-34-43-28-27-40(51-35(2)49)33-44(43)52-46(37-21-23-38(24-22-37)50-32-31-48-29-13-8-14-30-48)45(34)36-19-25-39(26-20-36)53-54(47(3,4)5,41-15-9-6-10-16-41)42-17-11-7-12-18-42;1-23-29-17-16-28(39-33(37)34(2,3)4)22-30(29)40-32(31(23)24-8-12-26(36)13-9-24)25-10-14-27(15-11-25)38-21-20-35-18-6-5-7-19-35/h6-7,9-12,15-28,33,46H,8,13-14,29-32H2,1-5H3;8-17,22,32,36H,5-7,18-21H2,1-4H3
• InChIKey: WLRDSCKCUCSTHX-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 125.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.70
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate?

The IUPAC name of [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate (CID 54437365) is [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate.

What is the SMILES notation for [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate?

The canonical SMILES for [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate is CC(=O)Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCCC3)cc1)C(c1ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc1)=C2C.CC1=C(c2ccc(O)cc2)C(c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21.

What is the InChIKey of [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate?

The InChIKey is WLRDSCKCUCSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51NO5Si.C34H39NO5/c1-34-43-28-27-40(51-35(2)49)33-44(43)52-46(37-21-23-38(24-22-37)50-32-31-48-29-13-8-14-30-48)45(34)36-19-25-39(26-20-36)53-54(47(3,4)5,41-15-9-6-10-16-41)42-17-11-7-12-18-42;1-23-29-17-16-28(39-33(37)34(2,3)4)22-30(29)40-32(31(23)24-8-12-26(36)13-9-24)25-10-14-27(15-11-25)38-21-20-35-18-6-5-7-19-35/h6-7,9-12,15-28,33,46H,8,13-14,29-32H2,1-5H3;8-17,22,32,36H,5-7,18-21H2,1-4H3.

What are the key properties of [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate?

[3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate has a molecular weight of 1279.70 g/mol, XLogP of 16.75, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 54437365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).