(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one

C10H10O4 — CID 46209877

IUPAC(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1O[C@H](c2ccoc2)CC=C1CO
InChIInChI=1S/C10H10O4/c11-5-7-1-2-9(14-10(7)12)8-3-4-13-6-8/h1,3-4,6,9,11H,2,5H2/t9-/m0/s1
InChIKeyXWPNPANJXWAITO-VIFPVBQESA-N
MW194.19 g/mol
LogP1.19
Rot. Bonds2

About (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one

(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one (PubChem CID 46209877) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one
PubChem CID46209877
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1O[C@H](c2ccoc2)CC=C1CO
InChIInChI=1S/C10H10O4/c11-5-7-1-2-9(14-10(7)12)8-3-4-13-6-8/h1,3-4,6,9,11H,2,5H2/t9-/m0/s1
InChIKeyXWPNPANJXWAITO-VIFPVBQESA-N
XLogP1.19
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-[2-[(1R,2R,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-(furan-3-yl)-2,3-dihydropyran-6-one
CID 101240052
(2R)-5-[2-[(1S,2S,8aR)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-(furan-3-yl)-2,3-dihydropyran-6-one
CID 11485872
2-(furan-3-yl)-6a,10b-dimethyl-2,6,10,10a-tetrahydro-1H-benzo[f]isochromene-4,7-dione
CID 56671447
[(1R,2R)-2-(furan-3-yl)cyclopropyl]methanol
CID 155859081
(1R,2S,3S,5R,11R,12R)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadeca-8,15-diene-7,13-dione
CID 44589004
2-(furan-3-yl)-10-hydroxy-6a,10b-dimethyl-2,6,10,10a-tetrahydro-1H-benzo[f]isochromene-4,7-dione
CID 162867627
(5'S,8S,9S,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylidenespiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione
CID 118701317
(2R)-2-[5-(furan-3-yl)pent-2-en-2-yl]-5-(4-methylpent-3-enyl)-2,3-dihydropyran-6-one
CID 162858673
(3aS,4R)-3a-[2-[2-(furan-3-yl)-4-methyl-6-oxo-2,3-dihydropyran-5-yl]ethyl]-4-hydroxy-3,4,5,6-tetrahydro-2-benzofuran-1-one
CID 51034944
2-[(1R,2R)-2-(furan-3-yl)cyclopropyl]ethanol
CID 122211518
(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione
CID 53474774
(1R,3R,4R,4aS,5'R)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
CID 10735323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one (CID 46209877) is (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one is O=C1O[C@H](c2ccoc2)CC=C1CO.
What is the InChIKey of (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is XWPNPANJXWAITO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10O4/c11-5-7-1-2-9(14-10(7)12)8-3-4-13-6-8/h1,3-4,6,9,11H,2,5H2/t9-/m0/s1.
What are the key properties of (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one?
(2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 194.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-3-yl)-5-(hydroxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 46209877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).