[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

C21H17FO5 — CID 8597308

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C21H17FO5/c1-25-19-10-8-16(14-5-3-4-6-15(14)19)21(24)27-12-18(23)17-11-13(22)7-9-20(17)26-2/h3-11H,12H2,1-2H3
InChIKeyRLZYTJJSOCJQFZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.04
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8597308) has the molecular formula C21H17FO5 and a molecular weight of 368.36 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8597308
Molecular FormulaC21H17FO5
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C21H17FO5/c1-25-19-10-8-16(14-5-3-4-6-15(14)19)21(24)27-12-18(23)17-11-13(22)7-9-20(17)26-2/h3-11H,12H2,1-2H3
InChIKeyRLZYTJJSOCJQFZ-UHFFFAOYSA-N
XLogP4.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16612168
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[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-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7235698
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233789
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] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (CID 8597308) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is RLZYTJJSOCJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO5/c1-25-19-10-8-16(14-5-3-4-6-15(14)19)21(24)27-12-18(23)17-11-13(22)7-9-20(17)26-2/h3-11H,12H2,1-2H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8597308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).