2-(oxolan-3-yl)chromen-4-one

C13H12O3 — CID 175552746

IUPAC2-(oxolan-3-yl)chromen-4-one
SMILESO=c1cc(C2CCOC2)oc2ccccc12
InChIInChI=1S/C13H12O3/c14-11-7-13(9-5-6-15-8-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2
InChIKeyDOMAREFLSBWUGR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.30
Rot. Bonds1

About 2-(oxolan-3-yl)chromen-4-one

2-(oxolan-3-yl)chromen-4-one (PubChem CID 175552746) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(oxolan-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)chromen-4-one
PubChem CID175552746
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-(oxolan-3-yl)chromen-4-one
SMILESO=c1cc(C2CCOC2)oc2ccccc12
InChIInChI=1S/C13H12O3/c14-11-7-13(9-5-6-15-8-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2
InChIKeyDOMAREFLSBWUGR-UHFFFAOYSA-N
XLogP2.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)chromen-4-one?
The IUPAC name of 2-(oxolan-3-yl)chromen-4-one (CID 175552746) is 2-(oxolan-3-yl)chromen-4-one.
What is the SMILES notation for 2-(oxolan-3-yl)chromen-4-one?
The canonical SMILES for 2-(oxolan-3-yl)chromen-4-one is O=c1cc(C2CCOC2)oc2ccccc12.
What is the InChIKey of 2-(oxolan-3-yl)chromen-4-one?
The InChIKey is DOMAREFLSBWUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-11-7-13(9-5-6-15-8-9)16-12-4-2-1-3-10(11)12/h1-4,7,9H,5-6,8H2.
What are the key properties of 2-(oxolan-3-yl)chromen-4-one?
2-(oxolan-3-yl)chromen-4-one has a molecular weight of 216.24 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)chromen-4-one is sourced from PubChem (CID 175552746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).