2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one

C13H14O3 — CID 15445237

IUPAC2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one
SMILESCCOc1ccccc1C1CC(=O)C=CO1
InChIInChI=1S/C13H14O3/c1-2-15-12-6-4-3-5-11(12)13-9-10(14)7-8-16-13/h3-8,13H,2,9H2,1H3
InChIKeyUYKFLVXIMIJHKK-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one

2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one (PubChem CID 15445237) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one
PubChem CID15445237
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one
SMILESCCOc1ccccc1C1CC(=O)C=CO1
InChIInChI=1S/C13H14O3/c1-2-15-12-6-4-3-5-11(12)13-9-10(14)7-8-16-13/h3-8,13H,2,9H2,1H3
InChIKeyUYKFLVXIMIJHKK-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one (CID 15445237) is 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one is CCOc1ccccc1C1CC(=O)C=CO1.
What is the InChIKey of 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one?
The InChIKey is UYKFLVXIMIJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-15-12-6-4-3-5-11(12)13-9-10(14)7-8-16-13/h3-8,13H,2,9H2,1H3.
What are the key properties of 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one?
2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one has a molecular weight of 218.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 15445237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).