3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol

C58H62O10 — CID 100984573

IUPAC3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
SMILESOCCCOCc1cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C58H62O10/c59-24-13-25-60-39-50-30-53(63-28-14-26-61-40-51-32-55(65-42-46-16-5-1-6-17-46)37-56(33-51)66-43-47-18-7-2-8-19-47)36-54(31-50)64-29-15-27-62-41-52-34-57(67-44-48-20-9-3-10-21-48)38-58(35-52)68-45-49-22-11-4-12-23-49/h1-12,16-23,30-38,59H,13-15,24-29,39-45H2
InChIKeySZIRUUQLFSXKHU-UHFFFAOYSA-N
MW919.12 g/mol
LogP11.87
Rot. Bonds31

About 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol

3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol (PubChem CID 100984573) has the molecular formula C58H62O10 and a molecular weight of 919.12 g/mol. Its IUPAC name is 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
PubChem CID100984573
Molecular FormulaC58H62O10
Molecular Weight919.12 g/mol
Exact Mass918.43
IUPAC Name3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol
SMILESOCCCOCc1cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C58H62O10/c59-24-13-25-60-39-50-30-53(63-28-14-26-61-40-51-32-55(65-42-46-16-5-1-6-17-46)37-56(33-51)66-43-47-18-7-2-8-19-47)36-54(31-50)64-29-15-27-62-41-52-34-57(67-44-48-20-9-3-10-21-48)38-58(35-52)68-45-49-22-11-4-12-23-49/h1-12,16-23,30-38,59H,13-15,24-29,39-45H2
InChIKeySZIRUUQLFSXKHU-UHFFFAOYSA-N
XLogP11.87
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.12
LogP ≤ 511.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol with MolForge

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Related Compounds

1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
4-[3,5-bis(phenylmethoxy)phenyl]butan-1-ol
CID 160694879
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
[3,5-bis(3-hydroxypropoxy)phenyl]methyl benzoate
CID 68504536
3-[2-(3-phenoxypropoxy)ethoxy]propan-1-ol
CID 23045273
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
6-hydroxyhexyl 3,5-bis(2-phenylmethoxyethoxy)benzoate
CID 132990681
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol?
The IUPAC name of 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol (CID 100984573) is 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol.
What is the SMILES notation for 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol?
The canonical SMILES for 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol is OCCCOCc1cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCCCOCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol?
The InChIKey is SZIRUUQLFSXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H62O10/c59-24-13-25-60-39-50-30-53(63-28-14-26-61-40-51-32-55(65-42-46-16-5-1-6-17-46)37-56(33-51)66-43-47-18-7-2-8-19-47)36-54(31-50)64-29-15-27-62-41-52-34-57(67-44-48-20-9-3-10-21-48)38-58(35-52)68-45-49-22-11-4-12-23-49/h1-12,16-23,30-38,59H,13-15,24-29,39-45H2.
What are the key properties of 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol?
3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol has a molecular weight of 919.12 g/mol, XLogP of 11.87, 31 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]propoxy]phenyl]methoxy]propan-1-ol is sourced from PubChem (CID 100984573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).