[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate

C24H20F2O4 — CID 23737434

IUPAC[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCc1ccc(COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C24H20F2O4/c25-21-7-3-1-5-19(21)13-23(27)29-15-17-9-11-18(12-10-17)16-30-24(28)14-20-6-2-4-8-22(20)26/h1-12H,13-16H2
InChIKeyJPWYVMAEIADGPI-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.54
Rot. Bonds8

About [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate

[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate (PubChem CID 23737434) has the molecular formula C24H20F2O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
PubChem CID23737434
Molecular FormulaC24H20F2O4
Molecular Weight410.42 g/mol
Exact Mass410.13
IUPAC Name[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate
SMILESO=C(Cc1ccccc1F)OCc1ccc(COC(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C24H20F2O4/c25-21-7-3-1-5-19(21)13-23(27)29-15-17-9-11-18(12-10-17)16-30-24(28)14-20-6-2-4-8-22(20)26/h1-12H,13-16H2
InChIKeyJPWYVMAEIADGPI-UHFFFAOYSA-N
XLogP4.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
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(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
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(2,3,4,5,6-pentafluorophenyl) 2-(2-fluorophenyl)acetate
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[2-(4-chlorophenyl)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 23904314
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
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2-(2-fluorophenyl)acetamide;hydrochloride
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(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
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cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate?
The IUPAC name of [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate (CID 23737434) is [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate?
The canonical SMILES for [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate is O=C(Cc1ccccc1F)OCc1ccc(COC(=O)Cc2ccccc2F)cc1.
What is the InChIKey of [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate?
The InChIKey is JPWYVMAEIADGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2O4/c25-21-7-3-1-5-19(21)13-23(27)29-15-17-9-11-18(12-10-17)16-30-24(28)14-20-6-2-4-8-22(20)26/h1-12H,13-16H2.
What are the key properties of [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate?
[4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate has a molecular weight of 410.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-fluorophenyl)acetyl]oxymethyl]phenyl]methyl 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 23737434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).