[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

C23H17FO5 — CID 7931073

IUPAC[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO5/c24-18-6-2-16(3-7-18)23(26)17-4-8-19(9-5-17)29-22(25)14-15-1-10-20-21(13-15)28-12-11-27-20/h1-10,13H,11-12,14H2
InChIKeyHUJBRIDBDXDDBY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.98
Rot. Bonds5

About [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate

[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (PubChem CID 7931073) has the molecular formula C23H17FO5 and a molecular weight of 392.38 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
PubChem CID7931073
Molecular FormulaC23H17FO5
Molecular Weight392.38 g/mol
Exact Mass392.11
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO5/c24-18-6-2-16(3-7-18)23(26)17-4-8-19(9-5-17)29-22(25)14-15-1-10-20-21(13-15)28-12-11-27-20/h1-10,13H,11-12,14H2
InChIKeyHUJBRIDBDXDDBY-UHFFFAOYSA-N
XLogP3.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]oxybenzoate
CID 5214239
(4-nitrophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7900912
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
CID 129162561
(2,3-dichlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 3580698
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 2677541
(2-methoxy-4-methylphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 26239434
2-oxopropyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324018
2-(4-propoxyphenoxy)ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324017
(4-fluorophenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 39817576
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(4-fluorophenoxy)propyl]urea
CID 60601729
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate (CID 7931073) is [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is O=C(Cc1ccc2c(c1)OCCO2)Oc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
The InChIKey is HUJBRIDBDXDDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FO5/c24-18-6-2-16(3-7-18)23(26)17-4-8-19(9-5-17)29-22(25)14-15-1-10-20-21(13-15)28-12-11-27-20/h1-10,13H,11-12,14H2.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate?
[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate has a molecular weight of 392.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate is sourced from PubChem (CID 7931073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).