1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one

C18H17F3O3 — CID 122366626

IUPAC1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H17F3O3/c1-13(24-12-18(19,20)21)17(22)15-7-9-16(10-8-15)23-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeySNNXQOBZQQJWHY-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.42
Rot. Bonds7

About 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one

1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 122366626) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID122366626
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCC(OCC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H17F3O3/c1-13(24-12-18(19,20)21)17(22)15-7-9-16(10-8-15)23-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChIKeySNNXQOBZQQJWHY-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
4-phenylmethoxybenzoic acid
CID 68896574
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
4-phenylmethoxybenzoyl fluoride
CID 154719359
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
2-[[(1R)-1-phenylethyl]amino]-1-(4-phenylmethoxyphenyl)propan-1-one
CID 69303198
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 122366626) is 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one is CC(OCC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is SNNXQOBZQQJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-13(24-12-18(19,20)21)17(22)15-7-9-16(10-8-15)23-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 338.33 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 122366626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).