(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate

C17H13FO5 — CID 42896194

IUPAC(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO5/c18-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)16(19)23-15-9-10-21-17(15)20/h1-8,15H,9-10H2
InChIKeyZOAIBPWCQRWSJB-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.09
Rot. Bonds4

About (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate

(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate (PubChem CID 42896194) has the molecular formula C17H13FO5 and a molecular weight of 316.28 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate
PubChem CID42896194
Molecular FormulaC17H13FO5
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FO5/c18-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)16(19)23-15-9-10-21-17(15)20/h1-8,15H,9-10H2
InChIKeyZOAIBPWCQRWSJB-UHFFFAOYSA-N
XLogP3.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate (CID 42896194) is (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate is O=C(OC1CCOC1=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate?
The InChIKey is ZOAIBPWCQRWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO5/c18-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)16(19)23-15-9-10-21-17(15)20/h1-8,15H,9-10H2.
What are the key properties of (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate?
(2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate has a molecular weight of 316.28 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-(4-fluorophenoxy)benzoate is sourced from PubChem (CID 42896194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).