2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene

C64H82O7 — CID 139915382

IUPAC2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
SMILESCOCCOCOc1c(-c2ccccc2)cc(CCCCCCCCCCOCCCCCCCCCCc2cc(-c3ccccc3)c(OCOCCOC)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C64H82O7/c1-65-43-45-68-51-70-63-59(55-33-21-15-22-34-55)47-53(48-60(63)56-35-23-16-24-36-56)31-19-11-7-3-5-9-13-29-41-67-42-30-14-10-6-4-8-12-20-32-54-49-61(57-37-25-17-26-38-57)64(71-52-69-46-44-66-2)62(50-54)58-39-27-18-28-40-58/h15-18,21-28,33-40,47-50H,3-14,19-20,29-32,41-46,51-52H2,1-2H3
InChIKeyDGHBWGYIBWOXOA-UHFFFAOYSA-N
MW963.35 g/mol
LogP16.40
Rot. Bonds38

About 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene

2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene (PubChem CID 139915382) has the molecular formula C64H82O7 and a molecular weight of 963.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
PubChem CID139915382
Molecular FormulaC64H82O7
Molecular Weight963.35 g/mol
Exact Mass962.61
IUPAC Name2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene
SMILESCOCCOCOc1c(-c2ccccc2)cc(CCCCCCCCCCOCCCCCCCCCCc2cc(-c3ccccc3)c(OCOCCOC)c(-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C64H82O7/c1-65-43-45-68-51-70-63-59(55-33-21-15-22-34-55)47-53(48-60(63)56-35-23-16-24-36-56)31-19-11-7-3-5-9-13-29-41-67-42-30-14-10-6-4-8-12-20-32-54-49-61(57-37-25-17-26-38-57)64(71-52-69-46-44-66-2)62(50-54)58-39-27-18-28-40-58/h15-18,21-28,33-40,47-50H,3-14,19-20,29-32,41-46,51-52H2,1-2H3
InChIKeyDGHBWGYIBWOXOA-UHFFFAOYSA-N
XLogP16.40
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds38
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.35
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
CID 23313285
1-ethynyl-2-(2-methoxyethoxymethoxy)-3-phenylbenzene
CID 11140566
7-methoxyheptylbenzene
CID 54276867
8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
4-[3-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]phenyl]butan-1-ol
CID 173357798
14-propoxytetradecylbenzene
CID 126562833
4-octadecoxybutylbenzene
CID 70977182
10-butoxydecylbenzene
CID 151496754
5-pentoxypentylbenzene
CID 19046566
6-propoxyhexylbenzene
CID 54255597

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene (CID 139915382) is 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene is COCCOCOc1c(-c2ccccc2)cc(CCCCCCCCCCOCCCCCCCCCCc2cc(-c3ccccc3)c(OCOCCOC)c(-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene?
The InChIKey is DGHBWGYIBWOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H82O7/c1-65-43-45-68-51-70-63-59(55-33-21-15-22-34-55)47-53(48-60(63)56-35-23-16-24-36-56)31-19-11-7-3-5-9-13-29-41-67-42-30-14-10-6-4-8-12-20-32-54-49-61(57-37-25-17-26-38-57)64(71-52-69-46-44-66-2)62(50-54)58-39-27-18-28-40-58/h15-18,21-28,33-40,47-50H,3-14,19-20,29-32,41-46,51-52H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene?
2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene has a molecular weight of 963.35 g/mol, XLogP of 16.40, 38 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-5-[10-[10-[4-(2-methoxyethoxymethoxy)-3,5-diphenylphenyl]decoxy]decyl]-1,3-diphenylbenzene is sourced from PubChem (CID 139915382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).