About 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol (PubChem CID 90753781) has the molecular formula C66H96O8
and a molecular weight of 1017.49 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol.
Molecular Properties
| Compound Name | 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol |
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| PubChem CID | 90753781 |
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| Molecular Formula | C66H96O8 |
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| Molecular Weight | 1017.49 g/mol |
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| Exact Mass | 1016.71 |
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| IUPAC Name | 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol |
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| SMILES | CC1(c2cc(CCCO)cc(C(c3cc(CCCO)cc(C4(C)CCCCC4)c3O)C3CCCCC3)c2O)CCCCC1.Cc1cc(CCCO)cc(C(c2cc(CCCO)cc(C)c2O)C2CCCCC2)c1O |
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| InChI | InChI=1S/C39H58O4.C27H38O4/c1-38(18-8-4-9-19-38)33-26-28(14-12-22-40)24-31(36(33)42)35(30-16-6-3-7-17-30)32-25-29(15-13-23-41)27-34(37(32)43)39(2)20-10-5-11-21-39;1-18-14-20(8-6-12-28)16-23(26(18)30)25(22-10-4-3-5-11-22)24-17-21(9-7-13-29)15-19(2)27(24)31/h24-27,30,35,40-43H,3-23H2,1-2H3;14-17,22,25,28-31H,3-13H2,1-2H3 |
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| InChIKey | ZCFDGBJYONTELV-UHFFFAOYSA-N |
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| XLogP | 14.38 |
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| TPSA | 161.84 Ų |
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| H-Bond Donors | 8 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 74 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1017.49 |
| LogP ≤ 5 | 14.38 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The IUPAC name of 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol (CID 90753781) is 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol.
What is the SMILES notation for 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The canonical SMILES for 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol is CC1(c2cc(CCCO)cc(C(c3cc(CCCO)cc(C4(C)CCCCC4)c3O)C3CCCCC3)c2O)CCCCC1.Cc1cc(CCCO)cc(C(c2cc(CCCO)cc(C)c2O)C2CCCCC2)c1O.
What is the InChIKey of 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
The InChIKey is ZCFDGBJYONTELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58O4.C27H38O4/c1-38(18-8-4-9-19-38)33-26-28(14-12-22-40)24-31(36(33)42)35(30-16-6-3-7-17-30)32-25-29(15-13-23-41)27-34(37(32)43)39(2)20-10-5-11-21-39;1-18-14-20(8-6-12-28)16-23(26(18)30)25(22-10-4-3-5-11-22)24-17-21(9-7-13-29)15-19(2)27(24)31/h24-27,30,35,40-43H,3-23H2,1-2H3;14-17,22,25,28-31H,3-13H2,1-2H3.
What are the key properties of 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol?
2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol has a molecular weight of 1017.49 g/mol, XLogP of 14.38, 20 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-(1-methylcyclohexyl)phenyl]methyl]-4-(3-hydroxypropyl)-6-(1-methylcyclohexyl)phenol;2-[cyclohexyl-[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol is sourced from PubChem (CID 90753781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).