4-hydroxy-6-(2-hydroxypropyl)pyran-2-one

C8H10O4 — CID 130149459

IUPAC4-hydroxy-6-(2-hydroxypropyl)pyran-2-one
SMILESCC(O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-5,9-10H,2H2,1H3
InChIKeySTGHXGDIWBHEAJ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.27
Rot. Bonds2

About 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one

4-hydroxy-6-(2-hydroxypropyl)pyran-2-one (PubChem CID 130149459) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-hydroxypropyl)pyran-2-one
PubChem CID130149459
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name4-hydroxy-6-(2-hydroxypropyl)pyran-2-one
SMILESCC(O)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C8H10O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-5,9-10H,2H2,1H3
InChIKeySTGHXGDIWBHEAJ-UHFFFAOYSA-N
XLogP0.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)prop-2-enoic acid
CID 44566950
(2E,4E)-5-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)penta-2,4-dienoic acid
CID 44566949
Chlamydospordiol
CID 190904
2H-Pyran-2-one, 5-(hydroxymethyl)-4-methoxy-6-propyl-
CID 10352700
Stemphypyrone
CID 24041595
4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one
CID 54680536
4-hydroxy-6-propyl-2H-pyran-2-one
CID 54686806
ACRL Toxin II
CID 131751033
Annularin A
CID 637272
(5-hydroxy-2-oxo-2H-pyran-4-yl)methyl acetate
CID 24864463
Pyrenocine L
CID 76309266
Cladobotrin VI
CID 10059573

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one (CID 130149459) is 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one is CC(O)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one?
The InChIKey is STGHXGDIWBHEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)2-7-3-6(10)4-8(11)12-7/h3-5,9-10H,2H2,1H3.
What are the key properties of 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one?
4-hydroxy-6-(2-hydroxypropyl)pyran-2-one has a molecular weight of 170.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-hydroxypropyl)pyran-2-one is sourced from PubChem (CID 130149459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).