1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene

C17H17F3O — CID 143812957

IUPAC1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCCOCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H17F3O/c1-3-21-11-15-5-4-14(10-12(15)2)13-6-8-16(9-7-13)17(18,19)20/h4-10H,3,11H2,1-2H3
InChIKeyOTQSKNKHKSVKFB-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.22
Rot. Bonds4

About 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene

1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 143812957) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID143812957
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCCOCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C17H17F3O/c1-3-21-11-15-5-4-14(10-12(15)2)13-6-8-16(9-7-13)17(18,19)20/h4-10H,3,11H2,1-2H3
InChIKeyOTQSKNKHKSVKFB-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
CID 90702752
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
[4-(ethoxymethyl)-3-methylphenyl]-dimethylbismuthane
CID 87969572
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054
ethyl 2-amino-4-[4-(trifluoromethyl)phenyl]benzoate
CID 134624138
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729411
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
1-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfinylbenzene
CID 121366732
ethyl 2-fluoro-5-[4-(trifluoromethyl)phenyl]benzoate
CID 134628237

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene (CID 143812957) is 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene is CCOCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is OTQSKNKHKSVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-3-21-11-15-5-4-14(10-12(15)2)13-6-8-16(9-7-13)17(18,19)20/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene?
1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 294.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 143812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).