2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone

C17H17FO3 — CID 43413586

IUPAC2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COc1cccc(C)c1C
InChIInChI=1S/C17H17FO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)14-9-13(18)7-8-17(14)20-3/h4-9H,10H2,1-3H3
InChIKeyCVUQYNGXBGZKCF-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.71
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone

2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 43413586) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID43413586
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)COc1cccc(C)c1C
InChIInChI=1S/C17H17FO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)14-9-13(18)7-8-17(14)20-3/h4-9H,10H2,1-3H3
InChIKeyCVUQYNGXBGZKCF-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(3-bromo-4-methoxyphenyl)-2-(2,3-dimethylphenoxy)ethanone
CID 957478
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233789
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339710
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 43413586) is 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)COc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is CVUQYNGXBGZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11-5-4-6-16(12(11)2)21-10-15(19)14-9-13(18)7-8-17(14)20-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 288.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 43413586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).