2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one

C8H12O4 — CID 101241960

IUPAC2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
SMILESCC[C@@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C8H12O4/c1-3-5(9)6-4(2)7(10)12-8(6)11/h5,7,9-10H,3H2,1-2H3/t5-,7?/m1/s1
InChIKeyBHMGLVLYNIHCAD-FOUAAFFMSA-N
MW172.18 g/mol
LogP-0.05
Rot. Bonds2

About 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one

2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one (PubChem CID 101241960) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
PubChem CID101241960
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one
SMILESCC[C@@H](O)C1=C(C)C(O)OC1=O
InChIInChI=1S/C8H12O4/c1-3-5(9)6-4(2)7(10)12-8(6)11/h5,7,9-10H,3H2,1-2H3/t5-,7?/m1/s1
InChIKeyBHMGLVLYNIHCAD-FOUAAFFMSA-N
XLogP-0.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-4-(1-hydroxyethyl)-3-methylfuran-2(5H)-one
CID 101905268
Grifolaone A
CID 139584363
5-Hydroxy-3-(1-hydroxy-2-methylbutyl)-4-methyl-2(5H)-furanone
CID 10013024
5-Hydroxy-3-(1-hydroxy-2-methylpropyl)-4-methyl-2(5H)-furanone
CID 10261838
3-(1-Hydroxy-2-methylproyl)-4-methyl-2(5H)-furanone
CID 10035024
(2R)-4-Methyl-5-oxo-2-propyl-2,5-dihydrofuran-3-carboxylic acid
CID 71360444
4-Carboxymethyl-2,3-dimethylbut-2-en-1,4
CID 85713729
(5R)-4-bromo-5-hydroxy-3-[(1R)-1-hydroxybutyl]-5-methylfuran-2-one
CID 163007723
2-(1'-Hydroxybutyl)-3-methyl-4-hydroxybut-2-en-1,4-olide
CID 163112472
4-(1-hydroxy-2-methylpropyl)-3-methyl-2H-uran-5-one
CID 11457920
4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
CID 154700504
Methyl 3-hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoate
CID 11053001

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one (CID 101241960) is 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one is CC[C@@H](O)C1=C(C)C(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
The InChIKey is BHMGLVLYNIHCAD-FOUAAFFMSA-N. The full InChI is InChI=1S/C8H12O4/c1-3-5(9)6-4(2)7(10)12-8(6)11/h5,7,9-10H,3H2,1-2H3/t5-,7?/m1/s1.
What are the key properties of 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one?
2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one has a molecular weight of 172.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1R)-1-hydroxypropyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 101241960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).