1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene

C17H17F3O3 — CID 2283088

IUPAC1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
SMILESCCOc1ccc(OCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O3/c1-2-21-14-6-8-15(9-7-14)22-10-11-23-16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,2,10-11H2,1H3
InChIKeyRPYKDBDSQJZSET-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.56
Rot. Bonds7

About 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene

1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene (PubChem CID 2283088) has the molecular formula C17H17F3O3 and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
PubChem CID2283088
Molecular FormulaC17H17F3O3
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC Name1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
SMILESCCOc1ccc(OCCOc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3O3/c1-2-21-14-6-8-15(9-7-14)22-10-11-23-16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,2,10-11H2,1H3
InChIKeyRPYKDBDSQJZSET-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-ethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30350028
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
CID 177106556
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 2993847
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
(3-ethoxyphenyl)methanetriamine
CID 142802456

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene?
The IUPAC name of 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene (CID 2283088) is 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene?
The canonical SMILES for 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene is CCOc1ccc(OCCOc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene?
The InChIKey is RPYKDBDSQJZSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O3/c1-2-21-14-6-8-15(9-7-14)22-10-11-23-16-5-3-4-13(12-16)17(18,19)20/h3-9,12H,2,10-11H2,1H3.
What are the key properties of 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene?
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene has a molecular weight of 326.31 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene is sourced from PubChem (CID 2283088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).