(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate

C21H18O5 — CID 88949546

IUPAC(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate
SMILESO=C(COCc1c2ccccc2cc2ccccc12)OC1CCOC1=O
InChIInChI=1S/C21H18O5/c22-20(26-19-9-10-25-21(19)23)13-24-12-18-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)18/h1-8,11,19H,9-10,12-13H2
InChIKeyNHUAOXRMUDRFRE-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.37
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate

(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate (PubChem CID 88949546) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate
PubChem CID88949546
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate
SMILESO=C(COCc1c2ccccc2cc2ccccc12)OC1CCOC1=O
InChIInChI=1S/C21H18O5/c22-20(26-19-9-10-25-21(19)23)13-24-12-18-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)18/h1-8,11,19H,9-10,12-13H2
InChIKeyNHUAOXRMUDRFRE-UHFFFAOYSA-N
XLogP3.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate (CID 88949546) is (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate is O=C(COCc1c2ccccc2cc2ccccc12)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate?
The InChIKey is NHUAOXRMUDRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c22-20(26-19-9-10-25-21(19)23)13-24-12-18-16-7-3-1-5-14(16)11-15-6-2-4-8-17(15)18/h1-8,11,19H,9-10,12-13H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate?
(2-oxooxolan-3-yl) 2-(anthracen-9-ylmethoxy)acetate has a molecular weight of 350.37 g/mol, XLogP of 3.37, 5 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-(anthracen-9-ylmethoxy)acetate is sourced from PubChem (CID 88949546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).