1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene

C13H17F3O — CID 176934964

IUPAC1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCCc1ccc(C(C)C)c(C(F)(F)F)c1OC
InChIInChI=1S/C13H17F3O/c1-5-9-6-7-10(8(2)3)11(12(9)17-4)13(14,15)16/h6-8H,5H2,1-4H3
InChIKeyADVNERWPSBGWGG-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.40
Rot. Bonds3

About 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene

1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 176934964) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID176934964
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCCc1ccc(C(C)C)c(C(F)(F)F)c1OC
InChIInChI=1S/C13H17F3O/c1-5-9-6-7-10(8(2)3)11(12(9)17-4)13(14,15)16/h6-8H,5H2,1-4H3
InChIKeyADVNERWPSBGWGG-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
3-ethyl-2-methoxy-6-propan-2-ylbenzonitrile
CID 117291786
1-[(3-ethyl-2-methoxy-6-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117374425
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
CID 117377360
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769
[1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117408717
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
4-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117405284
3-cyclopropyl-3-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propanoic acid
CID 117469299
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
CID 118269805

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene (CID 176934964) is 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene is CCc1ccc(C(C)C)c(C(F)(F)F)c1OC.
What is the InChIKey of 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is ADVNERWPSBGWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-5-9-6-7-10(8(2)3)11(12(9)17-4)13(14,15)16/h6-8H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene?
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 246.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 176934964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).