1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene

C18H23F3O3 — CID 162061698

IUPAC1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
SMILESCc1c(OCC2CCC2)ccc(OC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C18H23F3O3/c1-12-15(22-11-13-5-4-6-13)9-10-16(17(12)24-18(19,20)21)23-14-7-2-3-8-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyGKRYGRZBZYJTJY-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.39
Rot. Bonds6

About 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene

1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene (PubChem CID 162061698) has the molecular formula C18H23F3O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
PubChem CID162061698
Molecular FormulaC18H23F3O3
Molecular Weight344.37 g/mol
Exact Mass344.16
IUPAC Name1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
SMILESCc1c(OCC2CCC2)ccc(OC2CCCC2)c1OC(F)(F)F
InChIInChI=1S/C18H23F3O3/c1-12-15(22-11-13-5-4-6-13)9-10-16(17(12)24-18(19,20)21)23-14-7-2-3-8-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyGKRYGRZBZYJTJY-UHFFFAOYSA-N
XLogP5.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425
1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 159104567
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
CID 157180852
1-(2-cyclobutylethoxy)-4-(cyclobutylmethoxy)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282615
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
1-(cyclobutylmethoxy)-4-(2-cyclopentylethoxy)-3-fluoro-2-methylbenzene
CID 158334858
1-cyclopentyloxy-4-[(E)-3-cyclopropylprop-2-enoxy]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148688040
1-(cyclopentylmethoxy)-4-(cyclopropylmethyl)-2-fluoro-3-methylbenzene
CID 159362003
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene (CID 162061698) is 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene is Cc1c(OCC2CCC2)ccc(OC2CCCC2)c1OC(F)(F)F.
What is the InChIKey of 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is GKRYGRZBZYJTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O3/c1-12-15(22-11-13-5-4-6-13)9-10-16(17(12)24-18(19,20)21)23-14-7-2-3-8-14/h9-10,13-14H,2-8,11H2,1H3.
What are the key properties of 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene?
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 344.37 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 162061698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).