2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol

C25H25F3O3 — CID 67798726

IUPAC2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol
SMILESCCC1CC(O)(c2cc(OCc3ccc4ccccc4c3)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C25H25F3O3/c1-2-22-15-24(29,9-10-30-22)20-12-21(25(26,27)28)14-23(13-20)31-16-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11-14,22,29H,2,9-10,15-16H2,1H3
InChIKeyWPJIXTAADUZNHG-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.21
Rot. Bonds5

About 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol

2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol (PubChem CID 67798726) has the molecular formula C25H25F3O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol.

Molecular Properties

Compound Name2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol
PubChem CID67798726
Molecular FormulaC25H25F3O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol
SMILESCCC1CC(O)(c2cc(OCc3ccc4ccccc4c3)cc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C25H25F3O3/c1-2-22-15-24(29,9-10-30-22)20-12-21(25(26,27)28)14-23(13-20)31-16-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11-14,22,29H,2,9-10,15-16H2,1H3
InChIKeyWPJIXTAADUZNHG-UHFFFAOYSA-N
XLogP6.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol?
The IUPAC name of 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol (CID 67798726) is 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol.
What is the SMILES notation for 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol?
The canonical SMILES for 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol is CCC1CC(O)(c2cc(OCc3ccc4ccccc4c3)cc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol?
The InChIKey is WPJIXTAADUZNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3O3/c1-2-22-15-24(29,9-10-30-22)20-12-21(25(26,27)28)14-23(13-20)31-16-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11-14,22,29H,2,9-10,15-16H2,1H3.
What are the key properties of 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol?
2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol has a molecular weight of 430.47 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(naphthalen-2-ylmethoxy)-5-(trifluoromethyl)phenyl]oxan-4-ol is sourced from PubChem (CID 67798726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).