furan-2-ylmethanol;4-oxopentanoic acid

C10H14O5 — CID 174653424

IUPACfuran-2-ylmethanol;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.OCc1ccco1
InChIInChI=1S/C5H8O3.C5H6O2/c1-4(6)2-3-5(7)8;6-4-5-2-1-3-7-5/h2-3H2,1H3,(H,7,8);1-3,6H,4H2
InChIKeyXPSIWAAQHOHBGW-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.21
Rot. Bonds4

About furan-2-ylmethanol;4-oxopentanoic acid

furan-2-ylmethanol;4-oxopentanoic acid (PubChem CID 174653424) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is furan-2-ylmethanol;4-oxopentanoic acid.

Molecular Properties

Compound Namefuran-2-ylmethanol;4-oxopentanoic acid
PubChem CID174653424
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namefuran-2-ylmethanol;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.OCc1ccco1
InChIInChI=1S/C5H8O3.C5H6O2/c1-4(6)2-3-5(7)8;6-4-5-2-1-3-7-5/h2-3H2,1H3,(H,7,8);1-3,6H,4H2
InChIKeyXPSIWAAQHOHBGW-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze furan-2-ylmethanol;4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
dimethanidyl(dimethyl)silane;furan-2-ylmethanol;titanium(2+)
CID 20687675
furan-2-ylmethanol;2-methylfuran
CID 174421035
furan-2-ylmethanol;2-propan-2-ylsulfanylpropane
CID 174913675
furan-2-ylmethanol;1,2,3-trimethylbenzene
CID 175370642
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
3-(furan-2-ylmethoxy)propanoic acid
CID 24710839
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
2-(furan-2-yl)acetic acid;3-hydroxy-2-oxopropanoic acid;2-oxopentanedioic acid;2-oxopropanedioic acid
CID 159818816
4-oxopentanoic acid;zinc
CID 87190982
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethanol;4-oxopentanoic acid?
The IUPAC name of furan-2-ylmethanol;4-oxopentanoic acid (CID 174653424) is furan-2-ylmethanol;4-oxopentanoic acid.
What is the SMILES notation for furan-2-ylmethanol;4-oxopentanoic acid?
The canonical SMILES for furan-2-ylmethanol;4-oxopentanoic acid is CC(=O)CCC(=O)O.OCc1ccco1.
What is the InChIKey of furan-2-ylmethanol;4-oxopentanoic acid?
The InChIKey is XPSIWAAQHOHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C5H6O2/c1-4(6)2-3-5(7)8;6-4-5-2-1-3-7-5/h2-3H2,1H3,(H,7,8);1-3,6H,4H2.
What are the key properties of furan-2-ylmethanol;4-oxopentanoic acid?
furan-2-ylmethanol;4-oxopentanoic acid has a molecular weight of 214.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethanol;4-oxopentanoic acid is sourced from PubChem (CID 174653424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).