[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone

C20H19F3O3 — CID 139900857

IUPAC[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccccc1COC1CCCCO1
InChIInChI=1S/C20H19F3O3/c21-20(22,23)16-8-5-7-14(12-16)19(24)17-9-2-1-6-15(17)13-26-18-10-3-4-11-25-18/h1-2,5-9,12,18H,3-4,10-11,13H2
InChIKeyXTCWTPHKPZXZNB-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.98
Rot. Bonds5

About [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone

[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 139900857) has the molecular formula C20H19F3O3 and a molecular weight of 364.36 g/mol. Its IUPAC name is [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID139900857
Molecular FormulaC20H19F3O3
Molecular Weight364.36 g/mol
Exact Mass364.13
IUPAC Name[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1ccccc1COC1CCCCO1
InChIInChI=1S/C20H19F3O3/c21-20(22,23)16-8-5-7-14(12-16)19(24)17-9-2-1-6-15(17)13-26-18-10-3-4-11-25-18/h1-2,5-9,12,18H,3-4,10-11,13H2
InChIKeyXTCWTPHKPZXZNB-UHFFFAOYSA-N
XLogP4.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone
CID 101154322
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
2-[dimethyl(oxo)-λ6-sulfanylidene]-2-[2-(oxan-2-yloxymethyl)phenyl]acetonitrile
CID 135068109
2-methyl-4-(oxan-2-yloxy)-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 164669225
2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70794122
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone (CID 139900857) is [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1ccccc1COC1CCCCO1.
What is the InChIKey of [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XTCWTPHKPZXZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O3/c21-20(22,23)16-8-5-7-14(12-16)19(24)17-9-2-1-6-15(17)13-26-18-10-3-4-11-25-18/h1-2,5-9,12,18H,3-4,10-11,13H2.
What are the key properties of [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 364.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 139900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).