2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one

C63H106N2O21Si2 — CID 158143755

IUPAC2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one
SMILESCCO[Si](CCCN(CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC.CCO[Si](CCCNCC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC
InChIInChI=1S/C39H63NO13Si.C24H43NO8Si/c1-8-51-54(52-9-2,53-10-3)25-11-20-40(26-32(41)28-47-21-23-49-34-16-12-30(13-17-34)36(43)38(4,5)45)27-33(42)29-48-22-24-50-35-18-14-31(15-19-35)37(44)39(6,7)46;1-6-31-34(32-7-2,33-8-3)17-9-14-25-18-21(26)19-29-15-16-30-22-12-10-20(11-13-22)23(27)24(4,5)28/h12-19,32-33,41-42,45-46H,8-11,20-29H2,1-7H3;10-13,21,25-26,28H,6-9,14-19H2,1-5H3
InChIKeyFUGKJZJREOXXOU-UHFFFAOYSA-N
MW1283.71 g/mol
LogP5.97
Rot. Bonds50

About 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one (PubChem CID 158143755) has the molecular formula C63H106N2O21Si2 and a molecular weight of 1283.71 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one
PubChem CID158143755
Molecular FormulaC63H106N2O21Si2
Molecular Weight1283.71 g/mol
Exact Mass1282.68
IUPAC Name2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one
SMILESCCO[Si](CCCN(CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC.CCO[Si](CCCNCC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC
InChIInChI=1S/C39H63NO13Si.C24H43NO8Si/c1-8-51-54(52-9-2,53-10-3)25-11-20-40(26-32(41)28-47-21-23-49-34-16-12-30(13-17-34)36(43)38(4,5)45)27-33(42)29-48-22-24-50-35-18-14-31(15-19-35)37(44)39(6,7)46;1-6-31-34(32-7-2,33-8-3)17-9-14-25-18-21(26)19-29-15-16-30-22-12-10-20(11-13-22)23(27)24(4,5)28/h12-19,32-33,41-42,45-46H,8-11,20-29H2,1-7H3;10-13,21,25-26,28H,6-9,14-19H2,1-5H3
InChIKeyFUGKJZJREOXXOU-UHFFFAOYSA-N
XLogP5.97
TPSA298.62 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds50
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001283.71
LogP ≤ 55.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one with MolForge

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Related Compounds

[4-[3-[[1-(Dimethylamino)cyclohexyl]methylamino]-2-hydroxypropoxy]phenyl]-phenylmethanone;oxalic acid
CID 24762104
1-(4-(3-(3,3-Diphenylpropylamino)-2-hydroxypropoxy)phenyl)ethanone
CID 44421023
1-(4-(3-(3,3-Diphenylpropylamino)-2-hydroxypropoxy)phenyl)-3-phenylpropan-1-one
CID 44421031
1-[4-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73346646
1-[4-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 73348149
Propiophenone, 4'-(2-hydroxy-3-(phenethylamino)propoxy)-
CID 115930
Propiophenone, 4'-(2-hydroxy-3-(beta-hydroxyphenethylamino)propoxy)-
CID 118280
Ethanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
CID 6448829
1-Propanone, 1-(4-(2-hydroxy-3-(propylamino)propoxy)-3-(propoxymethyl)phenyl)-, (E)-2-butenedioate (2:1) (salt)
CID 6448831
Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(ethoxymethyl)-, oxalate (2:1)
CID 24832568
Acetophenone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-(methoxymethyl)-, oxalate (2:1)
CID 24832570
2-(4-acetylphenoxy)-N-[(1S,2S,3S)-3-[(2S)-1-[2-(4-acetylphenoxy)acetyl]pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxy-propyl]acetamide
CID 57413860

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one (CID 158143755) is 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one is CCO[Si](CCCN(CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)CC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC.CCO[Si](CCCNCC(O)COCCOc1ccc(C(=O)C(C)(C)O)cc1)(OCC)OCC.
What is the InChIKey of 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one?
The InChIKey is FUGKJZJREOXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H63NO13Si.C24H43NO8Si/c1-8-51-54(52-9-2,53-10-3)25-11-20-40(26-32(41)28-47-21-23-49-34-16-12-30(13-17-34)36(43)38(4,5)45)27-33(42)29-48-22-24-50-35-18-14-31(15-19-35)37(44)39(6,7)46;1-6-31-34(32-7-2,33-8-3)17-9-14-25-18-21(26)19-29-15-16-30-22-12-10-20(11-13-22)23(27)24(4,5)28/h12-19,32-33,41-42,45-46H,8-11,20-29H2,1-7H3;10-13,21,25-26,28H,6-9,14-19H2,1-5H3.
What are the key properties of 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one has a molecular weight of 1283.71 g/mol, XLogP of 5.97, 50 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propyl]-(3-triethoxysilylpropyl)amino]propoxy]ethoxy]phenyl]-2-methylpropan-1-one;2-hydroxy-1-[4-[2-[2-hydroxy-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 158143755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).