5-(1-hydroxypentyl)furan-2-carboxylic acid

C10H14O4 — CID 103691557

IUPAC5-(1-hydroxypentyl)furan-2-carboxylic acid
SMILESCCCCC(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-7,11H,2-4H2,1H3,(H,12,13)
InChIKeyVLTYSHPJYDPABM-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.20
Rot. Bonds5

About 5-(1-hydroxypentyl)furan-2-carboxylic acid

5-(1-hydroxypentyl)furan-2-carboxylic acid (PubChem CID 103691557) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(1-hydroxypentyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxypentyl)furan-2-carboxylic acid
PubChem CID103691557
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-(1-hydroxypentyl)furan-2-carboxylic acid
SMILESCCCCC(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H14O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-7,11H,2-4H2,1H3,(H,12,13)
InChIKeyVLTYSHPJYDPABM-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
5-(1-aminobutyl)furan-2-carboxylic acid
CID 55292890
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
5-pentanoylfuran-2-carboxylic acid
CID 97034823
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
5-[1-(3-aminopropylsulfanyl)ethyl]furan-2-carboxylic acid
CID 79083738
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
butane-1,1-diol;furan-2,5-dicarboxylic acid;tetradecane-1,2-diol
CID 175002888
5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
CID 106947334

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypentyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-hydroxypentyl)furan-2-carboxylic acid (CID 103691557) is 5-(1-hydroxypentyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxypentyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-hydroxypentyl)furan-2-carboxylic acid is CCCCC(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(1-hydroxypentyl)furan-2-carboxylic acid?
The InChIKey is VLTYSHPJYDPABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-2-3-4-7(11)8-5-6-9(14-8)10(12)13/h5-7,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-(1-hydroxypentyl)furan-2-carboxylic acid?
5-(1-hydroxypentyl)furan-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypentyl)furan-2-carboxylic acid is sourced from PubChem (CID 103691557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).