[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

C22H17FO4 — CID 16612168

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H17FO4/c1-26-20-10-8-15(23)11-18(20)19(24)12-27-22(25)17-9-7-14-6-5-13-3-2-4-16(17)21(13)14/h2-4,7-11H,5-6,12H2,1H3
InChIKeyAXCNUTAAYXRSNS-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.13
Rot. Bonds5

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (PubChem CID 16612168) has the molecular formula C22H17FO4 and a molecular weight of 364.37 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
PubChem CID16612168
Molecular FormulaC22H17FO4
Molecular Weight364.37 g/mol
Exact Mass364.11
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H17FO4/c1-26-20-10-8-15(23)11-18(20)19(24)12-27-22(25)17-9-7-14-6-5-13-3-2-4-16(17)21(13)14/h2-4,7-11H,5-6,12H2,1H3
InChIKeyAXCNUTAAYXRSNS-UHFFFAOYSA-N
XLogP4.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 18123658
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16576152
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233789
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7235698
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate (CID 16612168) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
The InChIKey is AXCNUTAAYXRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO4/c1-26-20-10-8-15(23)11-18(20)19(24)12-27-22(25)17-9-7-14-6-5-13-3-2-4-16(17)21(13)14/h2-4,7-11H,5-6,12H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate has a molecular weight of 364.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate is sourced from PubChem (CID 16612168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).