2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol

C53H60O13S — CID 154599773

IUPAC2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol
SMILESO=S(=O)(CC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)c1ccccc1
InChIInChI=1S/C53H60O13S/c54-31-32-57-48(33-58-43-19-7-1-8-20-43)34-63-49(35-59-44-21-9-2-10-22-44)38-64-50(36-60-45-23-11-3-12-24-45)39-65-51(37-61-46-25-13-4-14-26-46)40-66-52(41-62-47-27-15-5-16-28-47)42-67(55,56)53-29-17-6-18-30-53/h1-30,48-52,54H,31-42H2
InChIKeyVQFDAIINVHYDTD-UHFFFAOYSA-N
MW937.12 g/mol
LogP7.77
Rot. Bonds33

About 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol

2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol (PubChem CID 154599773) has the molecular formula C53H60O13S and a molecular weight of 937.12 g/mol. Its IUPAC name is 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol
PubChem CID154599773
Molecular FormulaC53H60O13S
Molecular Weight937.12 g/mol
Exact Mass936.38
IUPAC Name2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol
SMILESO=S(=O)(CC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)c1ccccc1
InChIInChI=1S/C53H60O13S/c54-31-32-57-48(33-58-43-19-7-1-8-20-43)34-63-49(35-59-44-21-9-2-10-22-44)38-64-50(36-60-45-23-11-3-12-24-45)39-65-51(37-61-46-25-13-4-14-26-46)40-66-52(41-62-47-27-15-5-16-28-47)42-67(55,56)53-29-17-6-18-30-53/h1-30,48-52,54H,31-42H2
InChIKeyVQFDAIINVHYDTD-UHFFFAOYSA-N
XLogP7.77
TPSA146.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.12
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[1-[1-[1-[1-[1-[2-[bis[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]ethyl]amino]ethoxy]-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethoxy]-4-oxobutanoic acid
CID 154599769
[(2R)-1-hydroxy-3-phenoxypropan-2-yl] hydrogen sulfate
CID 162928579
2-[[4-(4-fluorophenyl)phenyl]sulfonylmethyl]-3-phenoxypropanoic acid
CID 23505534
3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol
CID 101206385
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
2,2-diethoxyethylsulfonylbenzene
CID 11436831
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
2-hydroxy-3-phenoxypropane-1-sulfonic acid
CID 10149155
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-N-hydroxy-3-phenoxypropanamide
CID 23505538
2-hydroxy-3-phenoxypropanoic acid
CID 67592895

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol?
The IUPAC name of 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol (CID 154599773) is 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol is O=S(=O)(CC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCC(COc1ccccc1)OCCO)c1ccccc1.
What is the InChIKey of 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol?
The InChIKey is VQFDAIINVHYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H60O13S/c54-31-32-57-48(33-58-43-19-7-1-8-20-43)34-63-49(35-59-44-21-9-2-10-22-44)38-64-50(36-60-45-23-11-3-12-24-45)39-65-51(37-61-46-25-13-4-14-26-46)40-66-52(41-62-47-27-15-5-16-28-47)42-67(55,56)53-29-17-6-18-30-53/h1-30,48-52,54H,31-42H2.
What are the key properties of 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol?
2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol has a molecular weight of 937.12 g/mol, XLogP of 7.77, 33 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[1-[1-[1-(benzenesulfonyl)-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxy-3-phenoxypropan-2-yl]oxyethanol is sourced from PubChem (CID 154599773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).