[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate

C24H21FO4 — CID 16611351

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FO4/c1-28-23-13-12-19(25)14-21(23)22(26)16-29-24(27)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,20H,15-16H2,1H3
InChIKeyHDMOSQZGIKMWNG-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.78
Rot. Bonds8

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 16611351) has the molecular formula C24H21FO4 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID16611351
Molecular FormulaC24H21FO4
Molecular Weight392.43 g/mol
Exact Mass392.14
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FO4/c1-28-23-13-12-19(25)14-21(23)22(26)16-29-24(27)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,20H,15-16H2,1H3
InChIKeyHDMOSQZGIKMWNG-UHFFFAOYSA-N
XLogP4.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 46508926
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935783
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807725
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
3-(4-aminophenyl)-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116612828
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate (CID 16611351) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate is COc1ccc(F)cc1C(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is HDMOSQZGIKMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FO4/c1-28-23-13-12-19(25)14-21(23)22(26)16-29-24(27)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,20H,15-16H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 392.43 g/mol, XLogP of 4.78, 8 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] 3,3-diphenylpropanoate is sourced from PubChem (CID 16611351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).