5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one

C11H10O4S — CID 86799291

IUPAC5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one
SMILESCc1occc1SCc1cc(=O)c(O)co1
InChIInChI=1S/C11H10O4S/c1-7-11(2-3-14-7)16-6-8-4-9(12)10(13)5-15-8/h2-5,13H,6H2,1H3
InChIKeyUMDOTWLNHYIJPN-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.54
Rot. Bonds3

About 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one

5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one (PubChem CID 86799291) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one
PubChem CID86799291
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one
SMILESCc1occc1SCc1cc(=O)c(O)co1
InChIInChI=1S/C11H10O4S/c1-7-11(2-3-14-7)16-6-8-4-9(12)10(13)5-15-8/h2-5,13H,6H2,1H3
InChIKeyUMDOTWLNHYIJPN-UHFFFAOYSA-N
XLogP2.54
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one (CID 86799291) is 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one is Cc1occc1SCc1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one?
The InChIKey is UMDOTWLNHYIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-7-11(2-3-14-7)16-6-8-4-9(12)10(13)5-15-8/h2-5,13H,6H2,1H3.
What are the key properties of 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one?
5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one has a molecular weight of 238.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyran-4-one is sourced from PubChem (CID 86799291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).