5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole

C62H76N2O12 — CID 11468831

IUPAC5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCc2ccc(COCCOCCOCCOCc3cc(CCCOc4c(C)cc(-c5ccccc5)cc4C)on3)cc2)no1
InChIInChI=1S/C62H76N2O12/c1-47-37-55(53-13-7-5-8-14-53)38-48(2)61(47)73-23-11-17-59-41-57(63-75-59)45-71-35-31-67-27-25-65-29-33-69-43-51-19-21-52(22-20-51)44-70-34-30-66-26-28-68-32-36-72-46-58-42-60(76-64-58)18-12-24-74-62-49(3)39-56(40-50(62)4)54-15-9-6-10-16-54/h5-10,13-16,19-22,37-42H,11-12,17-18,23-36,43-46H2,1-4H3
InChIKeySHIDQYTXUNFNMG-UHFFFAOYSA-N
MW1041.29 g/mol
LogP11.79
Rot. Bonds38

About 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole

5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole (PubChem CID 11468831) has the molecular formula C62H76N2O12 and a molecular weight of 1041.29 g/mol. Its IUPAC name is 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
PubChem CID11468831
Molecular FormulaC62H76N2O12
Molecular Weight1041.29 g/mol
Exact Mass1040.54
IUPAC Name5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole
SMILESCc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCc2ccc(COCCOCCOCCOCc3cc(CCCOc4c(C)cc(-c5ccccc5)cc4C)on3)cc2)no1
InChIInChI=1S/C62H76N2O12/c1-47-37-55(53-13-7-5-8-14-53)38-48(2)61(47)73-23-11-17-59-41-57(63-75-59)45-71-35-31-67-27-25-65-29-33-69-43-51-19-21-52(22-20-51)44-70-34-30-66-26-28-68-32-36-72-46-58-42-60(76-64-58)18-12-24-74-62-49(3)39-56(40-50(62)4)54-15-9-6-10-16-54/h5-10,13-16,19-22,37-42H,11-12,17-18,23-36,43-46H2,1-4H3
InChIKeySHIDQYTXUNFNMG-UHFFFAOYSA-N
XLogP11.79
TPSA144.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.29
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The IUPAC name of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole (CID 11468831) is 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The canonical SMILES for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole is Cc1cc(-c2ccccc2)cc(C)c1OCCCc1cc(COCCOCCOCCOCc2ccc(COCCOCCOCCOCc3cc(CCCOc4c(C)cc(-c5ccccc5)cc4C)on3)cc2)no1.
What is the InChIKey of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
The InChIKey is SHIDQYTXUNFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H76N2O12/c1-47-37-55(53-13-7-5-8-14-53)38-48(2)61(47)73-23-11-17-59-41-57(63-75-59)45-71-35-31-67-27-25-65-29-33-69-43-51-19-21-52(22-20-51)44-70-34-30-66-26-28-68-32-36-72-46-58-42-60(76-64-58)18-12-24-74-62-49(3)39-56(40-50(62)4)54-15-9-6-10-16-54/h5-10,13-16,19-22,37-42H,11-12,17-18,23-36,43-46H2,1-4H3.
What are the key properties of 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole?
5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole has a molecular weight of 1041.29 g/mol, XLogP of 11.79, 38 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-3-[2-[2-[2-[[4-[2-[2-[2-[[5-[3-(2,6-dimethyl-4-phenylphenoxy)propyl]-1,2-oxazol-3-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]-1,2-oxazole is sourced from PubChem (CID 11468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).