(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate

C13H14O5 — CID 3914994

IUPAC(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C13H14O5/c1-9-3-2-4-10(7-9)17-8-12(14)18-11-5-6-16-13(11)15/h2-4,7,11H,5-6,8H2,1H3
InChIKeyUOZKFOTUQAYPFT-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.23
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate

(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate (PubChem CID 3914994) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate
PubChem CID3914994
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C13H14O5/c1-9-3-2-4-10(7-9)17-8-12(14)18-11-5-6-16-13(11)15/h2-4,7,11H,5-6,8H2,1H3
InChIKeyUOZKFOTUQAYPFT-UHFFFAOYSA-N
XLogP1.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.23
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) 2-(3-methylphenoxy)acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate (CID 3914994) is (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OC2CCOC2=O)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate?
The InChIKey is UOZKFOTUQAYPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-9-3-2-4-10(7-9)17-8-12(14)18-11-5-6-16-13(11)15/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate?
(2-oxooxolan-3-yl) 2-(3-methylphenoxy)acetate has a molecular weight of 250.25 g/mol, XLogP of 1.23, 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) 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 3914994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).