(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate

C21H15FO4 — CID 2339044

IUPAC(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H15FO4/c1-14(23)25-19-9-5-15(6-10-19)16-3-2-4-17(13-16)21(24)26-20-11-7-18(22)8-12-20/h2-13H,1H3
InChIKeyOISRRJMTVXLBRZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.64
Rot. Bonds4

About (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate

(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate (PubChem CID 2339044) has the molecular formula C21H15FO4 and a molecular weight of 350.35 g/mol. Its IUPAC name is (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
PubChem CID2339044
Molecular FormulaC21H15FO4
Molecular Weight350.35 g/mol
Exact Mass350.10
IUPAC Name(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
SMILESCC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H15FO4/c1-14(23)25-19-9-5-15(6-10-19)16-3-2-4-17(13-16)21(24)26-20-11-7-18(22)8-12-20/h2-13H,1H3
InChIKeyOISRRJMTVXLBRZ-UHFFFAOYSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
butan-2-yl 3-(4-acetyloxyphenyl)benzoate
CID 2891518
[4-(3-aminophenyl)phenyl] acetate
CID 68785053
(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
CID 8764876
[4-(4-fluorobenzoyl)phenyl] 3-nitrobenzoate
CID 2713472
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
(2-oxocyclopentyl) 3-(4-acetyloxyphenyl)benzoate
CID 4875353
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(4-acetyloxyphenyl)benzoate
CID 7515162
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
[4-(4-fluorophenoxy)carbothioylphenyl] acetate
CID 57307652

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate?
The IUPAC name of (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate (CID 2339044) is (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate.
What is the SMILES notation for (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate?
The canonical SMILES for (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate is CC(=O)Oc1ccc(-c2cccc(C(=O)Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate?
The InChIKey is OISRRJMTVXLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO4/c1-14(23)25-19-9-5-15(6-10-19)16-3-2-4-17(13-16)21(24)26-20-11-7-18(22)8-12-20/h2-13H,1H3.
What are the key properties of (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate?
(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate has a molecular weight of 350.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate is sourced from PubChem (CID 2339044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).