5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid

C12H16O5 — CID 106947334

IUPAC5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)CCC2CCCO2)o1
InChIInChI=1S/C12H16O5/c13-9(4-3-8-2-1-7-16-8)10-5-6-11(17-10)12(14)15/h5-6,8-9,13H,1-4,7H2,(H,14,15)
InChIKeyOEZQDEVQRHZTBG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.97
Rot. Bonds5

About 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid

5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid (PubChem CID 106947334) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
PubChem CID106947334
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)CCC2CCCO2)o1
InChIInChI=1S/C12H16O5/c13-9(4-3-8-2-1-7-16-8)10-5-6-11(17-10)12(14)15/h5-6,8-9,13H,1-4,7H2,(H,14,15)
InChIKeyOEZQDEVQRHZTBG-UHFFFAOYSA-N
XLogP1.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
CID 62206731
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160664
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
CID 66139463
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid (CID 106947334) is 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)CCC2CCCO2)o1.
What is the InChIKey of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid?
The InChIKey is OEZQDEVQRHZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c13-9(4-3-8-2-1-7-16-8)10-5-6-11(17-10)12(14)15/h5-6,8-9,13H,1-4,7H2,(H,14,15).
What are the key properties of 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid?
5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid has a molecular weight of 240.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).