2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene

C16H15F3O2 — CID 20811385

IUPAC2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene
SMILESCCOc1cccc(-c2cc(C)ccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-3-20-13-6-4-5-12(10-13)14-9-11(2)7-8-15(14)21-16(17,18)19/h4-10H,3H2,1-2H3
InChIKeyWZTPXTUXXGBBFG-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.96
Rot. Bonds4

About 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene

2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene (PubChem CID 20811385) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene
PubChem CID20811385
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene
SMILESCCOc1cccc(-c2cc(C)ccc2OC(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-3-20-13-6-4-5-12(10-13)14-9-11(2)7-8-15(14)21-16(17,18)19/h4-10H,3H2,1-2H3
InChIKeyWZTPXTUXXGBBFG-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Halfenprox
CID 10140464
1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 56950053
Conocarpan
CID 10999992
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
CID 77333
4-(Mesityloxy)-2-(trifluoromethyl)benzonitrile
CID 11587567
Magreth-16a
CID 54592209
Magreth-17a
CID 54592211
Magreth-17b
CID 54592212
Magreth-18a
CID 54592213
1-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 56949928
Benzene, 1-ethoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)-
CID 19103501
4-Ethoxy-2,3-difluoro-4'-propyl-1,1'-biphenyl
CID 68642346

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene (CID 20811385) is 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene is CCOc1cccc(-c2cc(C)ccc2OC(F)(F)F)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene?
The InChIKey is WZTPXTUXXGBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-3-20-13-6-4-5-12(10-13)14-9-11(2)7-8-15(14)21-16(17,18)19/h4-10H,3H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene?
2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene has a molecular weight of 296.29 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 20811385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).