2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone

C16H13F3O3 — CID 83951245

IUPAC2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C16H13F3O3/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCPYRXFYUFILMDR-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.02
Rot. Bonds5

About 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone

2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone (PubChem CID 83951245) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
PubChem CID83951245
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C16H13F3O3/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyCPYRXFYUFILMDR-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 54020066
3,3-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 146168049
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
3-methoxy-4-phenylmethoxybenzenecarbothioamide
CID 7745260
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone (CID 83951245) is 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone is COc1ccc(C(=O)C(F)(F)F)cc1OCc1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone?
The InChIKey is CPYRXFYUFILMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-21-13-8-7-12(15(20)16(17,18)19)9-14(13)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone?
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone has a molecular weight of 310.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 83951245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).