[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol

C81H108O31 — CID 10796614

IUPAC[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCOCCOCOc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)c4)c3)cc(OCc3cc(OCOCCOC)cc(OCOCCOC)c3)c2)cc(OCOCCOC)c1
InChIInChI=1S/C81H108O31/c1-83-9-17-91-53-105-74-31-64(32-75(42-74)106-54-92-18-10-84-2)49-101-70-27-62(28-71(40-70)102-50-65-33-76(107-55-93-19-11-85-3)43-77(34-65)108-56-94-20-12-86-4)47-99-68-25-61(46-82)26-69(39-68)100-48-63-29-72(103-51-66-35-78(109-57-95-21-13-87-5)44-79(36-66)110-58-96-22-14-88-6)41-73(30-63)104-52-67-37-80(111-59-97-23-15-89-7)45-81(38-67)112-60-98-24-16-90-8/h25-45,82H,9-24,46-60H2,1-8H3
InChIKeyNFBVNYDLBJQEEK-UHFFFAOYSA-N
MW1577.72 g/mol
LogP10.65
Rot. Bonds67

About [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol

[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol (PubChem CID 10796614) has the molecular formula C81H108O31 and a molecular weight of 1577.72 g/mol. Its IUPAC name is [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
PubChem CID10796614
Molecular FormulaC81H108O31
Molecular Weight1577.72 g/mol
Exact Mass1576.69
IUPAC Name[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
SMILESCOCCOCOc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)c4)c3)cc(OCc3cc(OCOCCOC)cc(OCOCCOC)c3)c2)cc(OCOCCOC)c1
InChIInChI=1S/C81H108O31/c1-83-9-17-91-53-105-74-31-64(32-75(42-74)106-54-92-18-10-84-2)49-101-70-27-62(28-71(40-70)102-50-65-33-76(107-55-93-19-11-85-3)43-77(34-65)108-56-94-20-12-86-4)47-99-68-25-61(46-82)26-69(39-68)100-48-63-29-72(103-51-66-35-78(109-57-95-21-13-87-5)44-79(36-66)110-58-96-22-14-88-6)41-73(30-63)104-52-67-37-80(111-59-97-23-15-89-7)45-81(38-67)112-60-98-24-16-90-8/h25-45,82H,9-24,46-60H2,1-8H3
InChIKeyNFBVNYDLBJQEEK-UHFFFAOYSA-N
XLogP10.65
TPSA297.13 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds67
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.72
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol (CID 10796614) is [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol is COCCOCOc1cc(COc2cc(COc3cc(CO)cc(OCc4cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)cc(OCc5cc(OCOCCOC)cc(OCOCCOC)c5)c4)c3)cc(OCc3cc(OCOCCOC)cc(OCOCCOC)c3)c2)cc(OCOCCOC)c1.
What is the InChIKey of [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol?
The InChIKey is NFBVNYDLBJQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H108O31/c1-83-9-17-91-53-105-74-31-64(32-75(42-74)106-54-92-18-10-84-2)49-101-70-27-62(28-71(40-70)102-50-65-33-76(107-55-93-19-11-85-3)43-77(34-65)108-56-94-20-12-86-4)47-99-68-25-61(46-82)26-69(39-68)100-48-63-29-72(103-51-66-35-78(109-57-95-21-13-87-5)44-79(36-66)110-58-96-22-14-88-6)41-73(30-63)104-52-67-37-80(111-59-97-23-15-89-7)45-81(38-67)112-60-98-24-16-90-8/h25-45,82H,9-24,46-60H2,1-8H3.
What are the key properties of [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol?
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol has a molecular weight of 1577.72 g/mol, XLogP of 10.65, 67 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 10796614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).