(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate

C20H18O5 — CID 84885944

IUPAC(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O
InChIInChI=1S/C20H18O5/c21-17(10-11-19(22)25-18-12-13-24-20(18)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyILFBIKGMVUSYGA-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.18
Rot. Bonds6

About (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate

(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 84885944) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID84885944
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O
InChIInChI=1S/C20H18O5/c21-17(10-11-19(22)25-18-12-13-24-20(18)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyILFBIKGMVUSYGA-UHFFFAOYSA-N
XLogP3.18
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.18
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-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate (CID 84885944) is (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate is O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is ILFBIKGMVUSYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c21-17(10-11-19(22)25-18-12-13-24-20(18)23)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,18H,10-13H2.
What are the key properties of (2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate?
(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 338.36 g/mol, XLogP of 3.18, 6 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-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 84885944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).