[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol

C23H27F3O2 — CID 146669389

IUPAC[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C23H27F3O2/c1-15(2)21-12-19(9-8-18(21)13-27)28-14-16-7-10-20(17-5-3-4-6-17)22(11-16)23(24,25)26/h7-12,15,17,27H,3-6,13-14H2,1-2H3
InChIKeyHXJVXYFYOMVEDR-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.56
Rot. Bonds6

About [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol

[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol (PubChem CID 146669389) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol
PubChem CID146669389
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol
SMILESCC(C)c1cc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1CO
InChIInChI=1S/C23H27F3O2/c1-15(2)21-12-19(9-8-18(21)13-27)28-14-16-7-10-20(17-5-3-4-6-17)22(11-16)23(24,25)26/h7-12,15,17,27H,3-6,13-14H2,1-2H3
InChIKeyHXJVXYFYOMVEDR-UHFFFAOYSA-N
XLogP6.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol 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 [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol?
The IUPAC name of [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol (CID 146669389) is [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol.
What is the SMILES notation for [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol?
The canonical SMILES for [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol is CC(C)c1cc(OCc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1CO.
What is the InChIKey of [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol?
The InChIKey is HXJVXYFYOMVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-15(2)21-12-19(9-8-18(21)13-27)28-14-16-7-10-20(17-5-3-4-6-17)22(11-16)23(24,25)26/h7-12,15,17,27H,3-6,13-14H2,1-2H3.
What are the key properties of [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol?
[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol has a molecular weight of 392.46 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol is sourced from PubChem (CID 146669389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).