5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol

C22H24F6O2 — CID 23574812

IUPAC5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol
SMILESCC(OCC(C)(CCCO)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H24F6O2/c1-15(16-11-18(21(23,24)25)13-19(12-16)22(26,27)28)30-14-20(2,9-6-10-29)17-7-4-3-5-8-17/h3-5,7-8,11-13,15,29H,6,9-10,14H2,1-2H3
InChIKeyCFMOIYLULNJWIA-UHFFFAOYSA-N
MW434.42 g/mol
LogP6.53
Rot. Bonds8

About 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol

5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol (PubChem CID 23574812) has the molecular formula C22H24F6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol.

Molecular Properties

Compound Name5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol
PubChem CID23574812
Molecular FormulaC22H24F6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol
SMILESCC(OCC(C)(CCCO)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H24F6O2/c1-15(16-11-18(21(23,24)25)13-19(12-16)22(26,27)28)30-14-20(2,9-6-10-29)17-7-4-3-5-8-17/h3-5,7-8,11-13,15,29H,6,9-10,14H2,1-2H3
InChIKeyCFMOIYLULNJWIA-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol?
The IUPAC name of 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol (CID 23574812) is 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol.
What is the SMILES notation for 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol?
The canonical SMILES for 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol is CC(OCC(C)(CCCO)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol?
The InChIKey is CFMOIYLULNJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6O2/c1-15(16-11-18(21(23,24)25)13-19(12-16)22(26,27)28)30-14-20(2,9-6-10-29)17-7-4-3-5-8-17/h3-5,7-8,11-13,15,29H,6,9-10,14H2,1-2H3.
What are the key properties of 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol?
5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol has a molecular weight of 434.42 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-methyl-4-phenylpentan-1-ol is sourced from PubChem (CID 23574812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).