About 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol
2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol (PubChem CID 135253892) has the molecular formula C70H74O8
and a molecular weight of 1043.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol.
Molecular Properties
| Compound Name | 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol |
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| PubChem CID | 135253892 |
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| Molecular Formula | C70H74O8 |
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| Molecular Weight | 1043.35 g/mol |
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| Exact Mass | 1042.54 |
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| IUPAC Name | 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol |
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| SMILES | CCOCc1cc(C2(c3cc(C)c(O)c(COCC)c3)c3ccccc3-c3c(CCOCc4cc(C5(c6cc(COCC)c(O)c(C(C)C)c6)c6ccccc6-c6ccccc65)cc(C(C)C)c4O)cccc32)cc(C)c1O |
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| InChI | InChI=1S/C70H74O8/c1-10-75-38-47-32-51(30-44(8)65(47)71)70(52-31-45(9)66(72)48(33-52)39-76-11-2)62-26-18-15-23-57(62)64-46(20-19-27-63(64)70)28-29-78-41-50-35-54(37-59(43(6)7)68(50)74)69(53-34-49(40-77-12-3)67(73)58(36-53)42(4)5)60-24-16-13-21-55(60)56-22-14-17-25-61(56)69/h13-27,30-37,42-43,71-74H,10-12,28-29,38-41H2,1-9H3 |
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| InChIKey | QNNWXZJPJZVUGX-UHFFFAOYSA-N |
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| XLogP | 15.47 |
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| TPSA | 117.84 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 78 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1043.35 |
| LogP ≤ 5 | 15.47 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Analyze 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol?
The IUPAC name of 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol (CID 135253892) is 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol.
What is the SMILES notation for 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol?
The canonical SMILES for 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol is CCOCc1cc(C2(c3cc(C)c(O)c(COCC)c3)c3ccccc3-c3c(CCOCc4cc(C5(c6cc(COCC)c(O)c(C(C)C)c6)c6ccccc6-c6ccccc65)cc(C(C)C)c4O)cccc32)cc(C)c1O.
What is the InChIKey of 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol?
The InChIKey is QNNWXZJPJZVUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H74O8/c1-10-75-38-47-32-51(30-44(8)65(47)71)70(52-31-45(9)66(72)48(33-52)39-76-11-2)62-26-18-15-23-57(62)64-46(20-19-27-63(64)70)28-29-78-41-50-35-54(37-59(43(6)7)68(50)74)69(53-34-49(40-77-12-3)67(73)58(36-53)42(4)5)60-24-16-13-21-55(60)56-22-14-17-25-61(56)69/h13-27,30-37,42-43,71-74H,10-12,28-29,38-41H2,1-9H3.
What are the key properties of 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol?
2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol has a molecular weight of 1043.35 g/mol, XLogP of 15.47, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-[9-[3-(ethoxymethyl)-4-hydroxy-5-methylphenyl]-4-[2-[[5-[9-[3-(ethoxymethyl)-4-hydroxy-5-propan-2-ylphenyl]fluoren-9-yl]-2-hydroxy-3-propan-2-ylphenyl]methoxy]ethyl]fluoren-9-yl]-6-methylphenol is sourced from PubChem (CID 135253892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).