3-(oxolan-2-yloxy)chromen-2-one

C13H12O4 — CID 132524996

IUPAC3-(oxolan-2-yloxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OC1CCCO1
InChIInChI=1S/C13H12O4/c14-13-11(16-12-6-3-7-15-12)8-9-4-1-2-5-10(9)17-13/h1-2,4-5,8,12H,3,6-7H2
InChIKeyGXPMMABAKLYWMC-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.31
Rot. Bonds2

About 3-(oxolan-2-yloxy)chromen-2-one

3-(oxolan-2-yloxy)chromen-2-one (PubChem CID 132524996) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(oxolan-2-yloxy)chromen-2-one.

Molecular Properties

Compound Name3-(oxolan-2-yloxy)chromen-2-one
PubChem CID132524996
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name3-(oxolan-2-yloxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OC1CCCO1
InChIInChI=1S/C13H12O4/c14-13-11(16-12-6-3-7-15-12)8-9-4-1-2-5-10(9)17-13/h1-2,4-5,8,12H,3,6-7H2
InChIKeyGXPMMABAKLYWMC-UHFFFAOYSA-N
XLogP2.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
2-(2-ethenylphenoxy)oxolane
CID 18792586
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
3-(trichloromethyl)chromen-2-one
CID 90255631
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
5-(oxan-2-yloxy)naphthalene-2-carbonitrile
CID 67656854

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yloxy)chromen-2-one?
The IUPAC name of 3-(oxolan-2-yloxy)chromen-2-one (CID 132524996) is 3-(oxolan-2-yloxy)chromen-2-one.
What is the SMILES notation for 3-(oxolan-2-yloxy)chromen-2-one?
The canonical SMILES for 3-(oxolan-2-yloxy)chromen-2-one is O=c1oc2ccccc2cc1OC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yloxy)chromen-2-one?
The InChIKey is GXPMMABAKLYWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-13-11(16-12-6-3-7-15-12)8-9-4-1-2-5-10(9)17-13/h1-2,4-5,8,12H,3,6-7H2.
What are the key properties of 3-(oxolan-2-yloxy)chromen-2-one?
3-(oxolan-2-yloxy)chromen-2-one has a molecular weight of 232.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yloxy)chromen-2-one is sourced from PubChem (CID 132524996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).