[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate

C23H19FO4 — CID 7542520

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESCOc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C23H19FO4/c1-27-21-13-12-18(14-19(21)24)20(25)15-28-23(26)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3
InChIKeyUERBBTDOEFHEOR-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.39
Rot. Bonds7

About [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 7542520) has the molecular formula C23H19FO4 and a molecular weight of 378.40 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID7542520
Molecular FormulaC23H19FO4
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
SMILESCOc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C23H19FO4/c1-27-21-13-12-18(14-19(21)24)20(25)15-28-23(26)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3
InChIKeyUERBBTDOEFHEOR-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55926493
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
phenacyl 2,2-diphenylacetate
CID 597416
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 36985545
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952635
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570876
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7537155

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate (CID 7542520) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate is COc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is UERBBTDOEFHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO4/c1-27-21-13-12-18(14-19(21)24)20(25)15-28-23(26)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 378.40 g/mol, XLogP of 4.39, 7 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] 2,2-diphenylacetate is sourced from PubChem (CID 7542520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).