(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate

C20H20O4 — CID 55379271

IUPAC(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate
SMILESCC1CC(OC(=O)c2ccccc2CCc2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O4/c1-14-13-18(20(22)23-14)24-19(21)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyKFVBQXQIZGLABD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.33
Rot. Bonds5

About (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate

(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate (PubChem CID 55379271) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate
PubChem CID55379271
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate
SMILESCC1CC(OC(=O)c2ccccc2CCc2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O4/c1-14-13-18(20(22)23-14)24-19(21)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyKFVBQXQIZGLABD-UHFFFAOYSA-N
XLogP3.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate?
The IUPAC name of (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate (CID 55379271) is (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate.
What is the SMILES notation for (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate?
The canonical SMILES for (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate is CC1CC(OC(=O)c2ccccc2CCc2ccccc2)C(=O)O1.
What is the InChIKey of (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate?
The InChIKey is KFVBQXQIZGLABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-14-13-18(20(22)23-14)24-19(21)17-10-6-5-9-16(17)12-11-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3.
What are the key properties of (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate?
(5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxooxolan-3-yl) 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 55379271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).