1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene

C21H23F3O2 — CID 146669877

IUPAC1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
SMILESCOc1cc(COc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C21H23F3O2/c1-14-7-8-15(11-20(14)25-2)13-26-17-9-10-18(16-5-3-4-6-16)19(12-17)21(22,23)24/h7-12,16H,3-6,13H2,1-2H3
InChIKeyDFYGAWOUIFTHSO-UHFFFAOYSA-N
MW364.41 g/mol
LogP6.26
Rot. Bonds5

About 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene

1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene (PubChem CID 146669877) has the molecular formula C21H23F3O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
PubChem CID146669877
Molecular FormulaC21H23F3O2
Molecular Weight364.41 g/mol
Exact Mass364.17
IUPAC Name1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene
SMILESCOc1cc(COc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C21H23F3O2/c1-14-7-8-15(11-20(14)25-2)13-26-17-9-10-18(16-5-3-4-6-16)19(12-17)21(22,23)24/h7-12,16H,3-6,13H2,1-2H3
InChIKeyDFYGAWOUIFTHSO-UHFFFAOYSA-N
XLogP6.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2-propan-2-ylphenyl]methanol
CID 146669389
5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole
CID 58020718
3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-1H-indol-2-yl]propanoic acid
CID 146663402
4-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-1H-indol-2-yl]butan-2-one
CID 170051485
methyl 3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 146663432
5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1H-indole-2-carboxylic acid
CID 169450382
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
5-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-4-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 68832414
1-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176929966
tert-butyl 5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate
CID 58020467
methyl 2-[7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
CID 67250606
2-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]indol-1-yl]ethyl acetate
CID 170313430

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene (CID 146669877) is 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene is COc1cc(COc2ccc(C3CCCC3)c(C(F)(F)F)c2)ccc1C.
What is the InChIKey of 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene?
The InChIKey is DFYGAWOUIFTHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3O2/c1-14-7-8-15(11-20(14)25-2)13-26-17-9-10-18(16-5-3-4-6-16)19(12-17)21(22,23)24/h7-12,16H,3-6,13H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene?
1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene has a molecular weight of 364.41 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3-methoxy-4-methylphenyl)methoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 146669877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).