4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol

C23H30F6O2 — CID 118123833

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol
SMILESCC1=CC(C(C2C=C(C)C(C)(O)C(C)=C2C)(C(F)(F)F)C(F)(F)F)C(C)=C(C)C1(C)O
InChIInChI=1S/C23H30F6O2/c1-11-9-17(13(3)15(5)19(11,7)30)21(22(24,25)26,23(27,28)29)18-10-12(2)20(8,31)16(6)14(18)4/h9-10,17-18,30-31H,1-8H3
InChIKeyAWJZCNKQQGZIDP-UHFFFAOYSA-N
MW452.48 g/mol
LogP6.42
Rot. Bonds2

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol (PubChem CID 118123833) has the molecular formula C23H30F6O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol
PubChem CID118123833
Molecular FormulaC23H30F6O2
Molecular Weight452.48 g/mol
Exact Mass452.21
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol
SMILESCC1=CC(C(C2C=C(C)C(C)(O)C(C)=C2C)(C(F)(F)F)C(F)(F)F)C(C)=C(C)C1(C)O
InChIInChI=1S/C23H30F6O2/c1-11-9-17(13(3)15(5)19(11,7)30)21(22(24,25)26,23(27,28)29)18-10-12(2)20(8,31)16(6)14(18)4/h9-10,17-18,30-31H,1-8H3
InChIKeyAWJZCNKQQGZIDP-UHFFFAOYSA-N
XLogP6.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol (CID 118123833) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol is CC1=CC(C(C2C=C(C)C(C)(O)C(C)=C2C)(C(F)(F)F)C(F)(F)F)C(C)=C(C)C1(C)O.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol?
The InChIKey is AWJZCNKQQGZIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F6O2/c1-11-9-17(13(3)15(5)19(11,7)30)21(22(24,25)26,23(27,28)29)18-10-12(2)20(8,31)16(6)14(18)4/h9-10,17-18,30-31H,1-8H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol?
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol has a molecular weight of 452.48 g/mol, XLogP of 6.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-2,3,4,5-tetramethylcyclohexa-2,5-dien-1-yl)propan-2-yl]-1,2,3,6-tetramethylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 118123833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).