2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid

C59H73O14PS — CID 142556989

IUPAC2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid
SMILESCCC(C)(COC(C)(C)P(=O)(O)O)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C59H73O14PS/c1-5-59(4,46-72-58(2,3)74(60,61)62)73-55(42-66-50-30-18-9-19-31-50)43-70-53(37-64-48-26-14-7-15-27-48)40-68-52(36-63-47-24-12-6-13-25-47)39-69-54(38-65-49-28-16-8-17-29-49)41-71-56(44-67-51-32-20-10-21-33-51)45-75-57-34-22-11-23-35-57/h6-35,52-56H,5,36-46H2,1-4H3,(H2,60,61,62)
InChIKeyMPMFNOUJKQMXAM-UHFFFAOYSA-N
MW1069.26 g/mol
LogP11.20
Rot. Bonds37

About 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid

2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid (PubChem CID 142556989) has the molecular formula C59H73O14PS and a molecular weight of 1069.26 g/mol. Its IUPAC name is 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid
PubChem CID142556989
Molecular FormulaC59H73O14PS
Molecular Weight1069.26 g/mol
Exact Mass1068.45
IUPAC Name2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid
SMILESCCC(C)(COC(C)(C)P(=O)(O)O)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C59H73O14PS/c1-5-59(4,46-72-58(2,3)74(60,61)62)73-55(42-66-50-30-18-9-19-31-50)43-70-53(37-64-48-26-14-7-15-27-48)40-68-52(36-63-47-24-12-6-13-25-47)39-69-54(38-65-49-28-16-8-17-29-49)41-71-56(44-67-51-32-20-10-21-33-51)45-75-57-34-22-11-23-35-57/h6-35,52-56H,5,36-46H2,1-4H3,(H2,60,61,62)
InChIKeyMPMFNOUJKQMXAM-UHFFFAOYSA-N
XLogP11.20
TPSA159.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.26
LogP ≤ 511.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid with MolForge

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Related Compounds

2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol
CID 142556990
(Z)-4-[1-[4-[2-[4-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]propan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 59914319
(E)-4-[1-[4-[2-[4-[2-[4-[2-[(E)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 23389930
[1-[4-[4-methyl-2-[4-(3-phenylsulfanyl-2-prop-2-enoyloxypropoxy)phenyl]pentan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 23389637
[1-phenylsulfanyl-3-[4-[2-[4-(3-phenylsulfanyl-2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] prop-2-enoate
CID 23389656
4-[1-[4-[2-[4-[2-[2-(carboxymethyl)prop-2-enoyloxy]-3-phenylsulfanylpropoxy]phenyl]propan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl]oxy-3-methyl-4-oxobutanoic acid
CID 23389931
bis[2-(2-phenoxyethoxy)hexyl] hydrogen phosphate
CID 139880754
[2-(methoxymethoxy)-3-phenylsulfanylpropyl]sulfanylbenzene
CID 22910217
(Z)-4-[1-[4-[4-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]sulfanylphenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 59914348
2-[3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[1-(carboxymethoxy)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(carboxymethoxy)-2-[2-[2-[2-[2-(2-hydroxy-3-phenoxypropoxy)-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]-3-phenoxypropoxy]propoxy]propoxy]acetic acid
CID 87269306
(E)-4-[1-[4-[4-[2-[(E)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]sulfanylphenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 23389959
1-phenoxy-3-phenylsulfanylpropane-2-thiol
CID 102274006

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid?
The IUPAC name of 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid (CID 142556989) is 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid.
What is the SMILES notation for 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid?
The canonical SMILES for 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid is CCC(C)(COC(C)(C)P(=O)(O)O)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1.
What is the InChIKey of 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid?
The InChIKey is MPMFNOUJKQMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H73O14PS/c1-5-59(4,46-72-58(2,3)74(60,61)62)73-55(42-66-50-30-18-9-19-31-50)43-70-53(37-64-48-26-14-7-15-27-48)40-68-52(36-63-47-24-12-6-13-25-47)39-69-54(38-65-49-28-16-8-17-29-49)41-71-56(44-67-51-32-20-10-21-33-51)45-75-57-34-22-11-23-35-57/h6-35,52-56H,5,36-46H2,1-4H3,(H2,60,61,62).
What are the key properties of 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid?
2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid has a molecular weight of 1069.26 g/mol, XLogP of 11.20, 37 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid is sourced from PubChem (CID 142556989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).