1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

C16H15F3O2 — CID 64765106

IUPAC1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O2/c1-2-12-3-7-14(8-4-12)20-11-13-5-9-15(10-6-13)21-16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyZOIIXOYVLCLYAT-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.73
Rot. Bonds5

About 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene

1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 64765106) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID64765106
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O2/c1-2-12-3-7-14(8-4-12)20-11-13-5-9-15(10-6-13)21-16(17,18)19/h3-10H,2,11H2,1H3
InChIKeyZOIIXOYVLCLYAT-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343809
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
1-ethyl-4-[fluoro(diiodo)methoxy]benzene
CID 163537570
N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene (CID 64765106) is 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is CCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is ZOIIXOYVLCLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-2-12-3-7-14(8-4-12)20-11-13-5-9-15(10-6-13)21-16(17,18)19/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene?
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 296.29 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 64765106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).