[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

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Related Compounds

1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
CID 146669877
4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-N-methyl-2-nitroaniline
CID 166786757
2-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]indol-1-yl]ethyl acetate
CID 170313430
5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1H-indole-2-carboxylic acid
CID 169450382
2-[6-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3,4,4a,9-tetrahydro-2H-pyrido[3,4-b]indol-1-yl]acetic acid
CID 66854511
[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-ethylphenyl]methanol
CID 126723004
tert-butyl 5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate
CID 58020467
[4-cyclohexyl-3-(trifluoromethyl)phenyl]-dideuteriomethanol
CID 140961429
4-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-1H-indol-2-yl]butan-2-one
CID 170051485
3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-1H-indol-2-yl]propanoic acid
CID 146663402
3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-7-ethylindol-1-yl]propanoic acid
CID 162427543
methyl 3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 146663432

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).