2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene

C20H23F3O2 — CID 156559115

IUPAC2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene
SMILESCOc1cc(CC(C)c2ccccc2OC(F)(F)F)ccc1C(C)C
InChIInChI=1S/C20H23F3O2/c1-13(2)16-10-9-15(12-19(16)24-4)11-14(3)17-7-5-6-8-18(17)25-20(21,22)23/h5-10,12-14H,11H2,1-4H3
InChIKeyFJLHFJAXZXJZCB-UHFFFAOYSA-N
MW352.40 g/mol
LogP6.06
Rot. Bonds6

About 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene

2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene (PubChem CID 156559115) has the molecular formula C20H23F3O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene
PubChem CID156559115
Molecular FormulaC20H23F3O2
Molecular Weight352.40 g/mol
Exact Mass352.17
IUPAC Name2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene
SMILESCOc1cc(CC(C)c2ccccc2OC(F)(F)F)ccc1C(C)C
InChIInChI=1S/C20H23F3O2/c1-13(2)16-10-9-15(12-19(16)24-4)11-14(3)17-7-5-6-8-18(17)25-20(21,22)23/h5-10,12-14H,11H2,1-4H3
InChIKeyFJLHFJAXZXJZCB-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(3-methoxy-4-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117317079
1-[1-(4-ethyl-3-methoxyphenyl)propan-2-yl]-2,4-difluorobenzene
CID 166661123
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene
CID 134959786
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
tert-butyl-[(3-methoxy-4-propan-2-ylphenyl)methoxy]-dimethylsilane
CID 174039904
2-chloro-1-[1-(4-ethyl-3-propan-2-ylphenyl)propan-2-yl]-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 146252989
1-ethyl-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene
CID 172620672
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The IUPAC name of 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene (CID 156559115) is 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene.
What is the SMILES notation for 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The canonical SMILES for 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene is COc1cc(CC(C)c2ccccc2OC(F)(F)F)ccc1C(C)C.
What is the InChIKey of 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The InChIKey is FJLHFJAXZXJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3O2/c1-13(2)16-10-9-15(12-19(16)24-4)11-14(3)17-7-5-6-8-18(17)25-20(21,22)23/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene?
2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene has a molecular weight of 352.40 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-propan-2-yl-4-[2-[2-(trifluoromethoxy)phenyl]propyl]benzene is sourced from PubChem (CID 156559115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).