2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one

C12H16O5 — CID 79873018

IUPAC2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one
SMILESO=c1cc(CO)occ1OCCC1CCCO1
InChIInChI=1S/C12H16O5/c13-7-10-6-11(14)12(8-17-10)16-5-3-9-2-1-4-15-9/h6,8-9,13H,1-5,7H2
InChIKeyFRERFYFEONPCNP-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.08
Rot. Bonds5

About 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one

2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one (PubChem CID 79873018) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one
PubChem CID79873018
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one
SMILESO=c1cc(CO)occ1OCCC1CCCO1
InChIInChI=1S/C12H16O5/c13-7-10-6-11(14)12(8-17-10)16-5-3-9-2-1-4-15-9/h6,8-9,13H,1-5,7H2
InChIKeyFRERFYFEONPCNP-UHFFFAOYSA-N
XLogP1.08
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butoxy-2-(hydroxymethyl)pyran-4-one
CID 14749913
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
[3-bromo-5-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162786
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
(2S)-2-[2-(4-methoxy-2-nitrophenoxy)ethyl]oxolane
CID 99826412
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one (CID 79873018) is 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one is O=c1cc(CO)occ1OCCC1CCCO1.
What is the InChIKey of 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one?
The InChIKey is FRERFYFEONPCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c13-7-10-6-11(14)12(8-17-10)16-5-3-9-2-1-4-15-9/h6,8-9,13H,1-5,7H2.
What are the key properties of 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one?
2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one has a molecular weight of 240.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[2-(oxolan-2-yl)ethoxy]pyran-4-one is sourced from PubChem (CID 79873018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).