[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate

C17H15FO5 — CID 40565888

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C17H15FO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)13-9-11(18)7-8-16(13)22-2/h3-9H,10H2,1-2H3
InChIKeyBIEBRYHJJOQNHS-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.88
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 40565888) has the molecular formula C17H15FO5 and a molecular weight of 318.30 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
PubChem CID40565888
Molecular FormulaC17H15FO5
Molecular Weight318.30 g/mol
Exact Mass318.09
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccccc1OC
InChIInChI=1S/C17H15FO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)13-9-11(18)7-8-16(13)22-2/h3-9H,10H2,1-2H3
InChIKeyBIEBRYHJJOQNHS-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
[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] 3,3-diphenylpropanoate
CID 16611351
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7235698
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16612168
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46508926
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate (CID 40565888) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate is COc1ccc(F)cc1C(=O)COC(=O)c1ccccc1OC.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is BIEBRYHJJOQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO5/c1-21-15-6-4-3-5-12(15)17(20)23-10-14(19)13-9-11(18)7-8-16(13)22-2/h3-9H,10H2,1-2H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 318.30 g/mol, XLogP of 2.88, 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] 2-methoxybenzoate is sourced from PubChem (CID 40565888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).