2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone

C17H15FO4 — CID 162404401

IUPAC2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
SMILESCOc1ccc(C(C)=O)c(OC(F)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15FO4/c1-11(19)14-9-8-13(21-2)10-15(14)22-17(18)16(20)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyDWLQDIWEYFADHU-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.46
Rot. Bonds6

About 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone

2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone (PubChem CID 162404401) has the molecular formula C17H15FO4 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
PubChem CID162404401
Molecular FormulaC17H15FO4
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
SMILESCOc1ccc(C(C)=O)c(OC(F)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15FO4/c1-11(19)14-9-8-13(21-2)10-15(14)22-17(18)16(20)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyDWLQDIWEYFADHU-UHFFFAOYSA-N
XLogP3.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
2-(2,5-dimethoxyphenyl)-1-phenylbutane-1,3-dione
CID 102159626
3-[2-(difluoromethoxy)phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4796085
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
CID 87812980
acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate
CID 135058551
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone (CID 162404401) is 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone is COc1ccc(C(C)=O)c(OC(F)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone?
The InChIKey is DWLQDIWEYFADHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO4/c1-11(19)14-9-8-13(21-2)10-15(14)22-17(18)16(20)12-6-4-3-5-7-12/h3-10,17H,1-2H3.
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone?
2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone has a molecular weight of 302.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone is sourced from PubChem (CID 162404401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).