[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate

C21H17FO4 — CID 7537155

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C21H17FO4/c1-25-20-10-9-16(11-18(20)22)19(23)13-26-21(24)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12-13H2,1H3
InChIKeyANWHEDMWGLHFEA-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.96
Rot. Bonds6

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 7537155) has the molecular formula C21H17FO4 and a molecular weight of 352.36 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID7537155
Molecular FormulaC21H17FO4
Molecular Weight352.36 g/mol
Exact Mass352.11
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1F
InChIInChI=1S/C21H17FO4/c1-25-20-10-9-16(11-18(20)22)19(23)13-26-21(24)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12-13H2,1H3
InChIKeyANWHEDMWGLHFEA-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782971
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8608526
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 55406579
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 7547367
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8521806
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 7537155) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate is COc1ccc(C(=O)COC(=O)Cc2cccc3ccccc23)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is ANWHEDMWGLHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO4/c1-25-20-10-9-16(11-18(20)22)19(23)13-26-21(24)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12-13H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 352.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).