2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol

C48H71F3O4 — CID 144690610

IUPAC2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol
SMILESCC.CCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1O.CO.Cc1ccc(F)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1.OO
InChIInChI=1S/C24H38O.3C7H7F.C2H6.CH4O.H2O2/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)25)20-14-9-6-10-15-20;3*1-6-2-4-7(8)5-3-6;3*1-2/h16-20,25H,3-15H2,1-2H3;3*2-5H,1H3;1-2H3;2H,1H3;1-2H
InChIKeyWPADPFPUBGUPAB-UHFFFAOYSA-N
MW769.09 g/mol
LogP14.84
Rot. Bonds6

About 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol

2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol (PubChem CID 144690610) has the molecular formula C48H71F3O4 and a molecular weight of 769.09 g/mol. Its IUPAC name is 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol.

Molecular Properties

Compound Name2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol
PubChem CID144690610
Molecular FormulaC48H71F3O4
Molecular Weight769.09 g/mol
Exact Mass768.53
IUPAC Name2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol
SMILESCC.CCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1O.CO.Cc1ccc(F)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1.OO
InChIInChI=1S/C24H38O.3C7H7F.C2H6.CH4O.H2O2/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)25)20-14-9-6-10-15-20;3*1-6-2-4-7(8)5-3-6;3*1-2/h16-20,25H,3-15H2,1-2H3;3*2-5H,1H3;1-2H3;2H,1H3;1-2H
InChIKeyWPADPFPUBGUPAB-UHFFFAOYSA-N
XLogP14.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.09
LogP ≤ 514.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol with MolForge

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Launch Full Analysis

Related Compounds

1,5-dicyclohexyl-3-hexan-3-yl-2-hydroxysulfanylbenzene
CID 144560957
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
1,5-dicyclohexyl-2-[fluoro(hydroxysulfanyl)methyl]sulfanyloxy-3-hexan-3-ylbenzene
CID 144690751
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)hexyl]phenol
CID 139824988
2,6-dicyclohexyl-4-[1-(3,5-dicyclohexyl-4-hydroxyphenyl)heptyl]phenol
CID 139824888
2,4-di(cycloheptyl)-6-phenylphenol;2,4-dicyclohexyl-6-phenylphenol;2,4-di(cyclooctyl)-6-phenylphenol;2,4-dicyclopentyl-6-phenylphenol
CID 158976886
2-amino-4,6-dicyclohexylphenol
CID 139812455
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
2-cyclohexyl-4-[(5-heptan-3-yl-4-hydroxy-2-methylphenyl)-(2-hydroxyphenyl)methyl]-5-methylphenol
CID 145179128

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol?
The IUPAC name of 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol (CID 144690610) is 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol.
What is the SMILES notation for 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol?
The canonical SMILES for 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol is CC.CCCC(CC)c1cc(C2CCCCC2)cc(C2CCCCC2)c1O.CO.Cc1ccc(F)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1.OO.
What is the InChIKey of 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol?
The InChIKey is WPADPFPUBGUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O.3C7H7F.C2H6.CH4O.H2O2/c1-3-11-18(4-2)22-16-21(19-12-7-5-8-13-19)17-23(24(22)25)20-14-9-6-10-15-20;3*1-6-2-4-7(8)5-3-6;3*1-2/h16-20,25H,3-15H2,1-2H3;3*2-5H,1H3;1-2H3;2H,1H3;1-2H.
What are the key properties of 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol?
2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol has a molecular weight of 769.09 g/mol, XLogP of 14.84, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclohexyl-6-hexan-3-ylphenol;ethane;tris(1-fluoro-4-methylbenzene);hydrogen peroxide;methanol is sourced from PubChem (CID 144690610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).