2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol

C50H74N2O10 — CID 126699639

IUPAC2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCOc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(COCCOCCOCCO)c(COCCOCCOCCO)c2)cc1OCCCCCCC
InChIInChI=1S/C50H74N2O10/c1-5-7-9-11-13-23-61-45-20-19-42(36-46(45)62-24-14-12-10-8-6-2)50-49(51-47-39(3)15-16-40(4)48(47)52-50)41-17-18-43(37-59-33-31-57-29-27-55-25-21-53)44(35-41)38-60-34-32-58-30-28-56-26-22-54/h15-20,35-36,53-54H,5-14,21-34,37-38H2,1-4H3
InChIKeySOCOHZCJDIOEMT-UHFFFAOYSA-N
MW863.15 g/mol
LogP9.36
Rot. Bonds36

About 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol (PubChem CID 126699639) has the molecular formula C50H74N2O10 and a molecular weight of 863.15 g/mol. Its IUPAC name is 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol
PubChem CID126699639
Molecular FormulaC50H74N2O10
Molecular Weight863.15 g/mol
Exact Mass862.53
IUPAC Name2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCOc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(COCCOCCOCCO)c(COCCOCCOCCO)c2)cc1OCCCCCCC
InChIInChI=1S/C50H74N2O10/c1-5-7-9-11-13-23-61-45-20-19-42(36-46(45)62-24-14-12-10-8-6-2)50-49(51-47-39(3)15-16-40(4)48(47)52-50)41-17-18-43(37-59-33-31-57-29-27-55-25-21-53)44(35-41)38-60-34-32-58-30-28-56-26-22-54/h15-20,35-36,53-54H,5-14,21-34,37-38H2,1-4H3
InChIKeySOCOHZCJDIOEMT-UHFFFAOYSA-N
XLogP9.36
TPSA140.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.15
LogP ≤ 59.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-[3-[3,4-bis[2-(2-methoxyethoxy)ethoxy]phenyl]-5,8-dimethylquinoxalin-2-yl]-2-[2-(2-hydroxyethoxy)ethoxymethyl]phenyl]methoxy]ethoxy]ethanol
CID 123584233
2-[2-[2-[(3-heptoxy-5,8-dimethylquinoxalin-2-yl)methoxy]ethoxy]ethoxy]ethanol
CID 126699641
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
2,3-bis(3,4-dioctoxyphenyl)quinoxaline-6,7-diamine
CID 102597963
4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
4-[3,4-bis[2-(2-methoxyethoxy)ethoxy]phenyl]-3,7-dimethylquinoline;2-[2-[[4-[3-[3,4-bis[2-(2-methoxyethoxy)ethoxy]phenyl]-5,8-dimethylquinoxalin-2-yl]-2-[2-(2-hydroxyethoxy)ethoxymethyl]phenyl]methoxy]ethoxy]ethanol;5,8-dimethyl-2,3-diphenylquinoxaline;3,7-dimethyl-4-phenylquinoline;2-(2-ethoxyethoxy)ethanol;2-[2-[[6-[2-(2-methoxyethoxy)ethoxy]-3,8-dimethyl-1,10-phenanthrolin-5-yl]methoxy]ethoxy]ethanol;4-[2-(2-methoxyethoxy)ethoxy]-3,7-dimethylquinoline;2-[2-[[3-[2-(2-methoxyethoxy)ethoxy]-5,8-dimethylquinoxalin-2-yl]methoxy]ethoxy]ethanol;bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 161267367
2-(3,4-dipentoxyphenyl)-3,6,7,10,11-pentahexoxytriphenylene
CID 132990482
2-(3,4-didodecoxyphenyl)-5,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3-(3,4-dimethylphenyl)quinoxaline
CID 118683578
ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde
CID 123913387
3-(3,4-dioctoxyphenyl)-1-[2-[2-[3-(3,4-dioctoxyphenyl)-5-methylpyrazol-1-yl]ethoxy]ethyl]-5-methylpyrazole
CID 101116033
3,6-bis(3,4-dipentoxyphenyl)-1,2,4,5-tetrazine
CID 102109061
[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]-5-[10-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylphenyl]-2,7-dimethylphenanthren-9-yl]phenyl]methyl-trimethylazanium
CID 126699669

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol (CID 126699639) is 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol is CCCCCCCOc1ccc(-c2nc3c(C)ccc(C)c3nc2-c2ccc(COCCOCCOCCO)c(COCCOCCOCCO)c2)cc1OCCCCCCC.
What is the InChIKey of 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol?
The InChIKey is SOCOHZCJDIOEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H74N2O10/c1-5-7-9-11-13-23-61-45-20-19-42(36-46(45)62-24-14-12-10-8-6-2)50-49(51-47-39(3)15-16-40(4)48(47)52-50)41-17-18-43(37-59-33-31-57-29-27-55-25-21-53)44(35-41)38-60-34-32-58-30-28-56-26-22-54/h15-20,35-36,53-54H,5-14,21-34,37-38H2,1-4H3.
What are the key properties of 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol has a molecular weight of 863.15 g/mol, XLogP of 9.36, 36 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[4-[3-(3,4-diheptoxyphenyl)-5,8-dimethylquinoxalin-2-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 126699639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).