4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid

C10H12O5 — CID 11658554

IUPAC4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
SMILESCC(O)c1ccc(C(=O)CCC(=O)O)o1
InChIInChI=1S/C10H12O5/c1-6(11)8-3-4-9(15-8)7(12)2-5-10(13)14/h3-4,6,11H,2,5H2,1H3,(H,13,14)
InChIKeyQZPMJUUYIRZJKD-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.38
Rot. Bonds5

About 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid

4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid (PubChem CID 11658554) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
PubChem CID11658554
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid
SMILESCC(O)c1ccc(C(=O)CCC(=O)O)o1
InChIInChI=1S/C10H12O5/c1-6(11)8-3-4-9(15-8)7(12)2-5-10(13)14/h3-4,6,11H,2,5H2,1H3,(H,13,14)
InChIKeyQZPMJUUYIRZJKD-UHFFFAOYSA-N
XLogP1.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)furfural
CID 237332
5-Hydroxymethyl-2-furoic acid
CID 80642
5-(Tetradecyloxy)-2-furoic acid
CID 115175
2,5-Furandicarboxylic acid
CID 76720
Furoin
CID 11100
5-Methylfurfuryl alcohol
CID 520911
Furfuryl octanoate
CID 61985
Octyl 2-furoate
CID 62901
2-Furancarboxylic acid, 5-methyl-
CID 74710
2,5-Dimethyl furan-2,5-dicarboxylate
CID 303530
Bipinnatin J
CID 5470115
2-(1-Hydroxypropyl)furan
CID 33640

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid (CID 11658554) is 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid is CC(O)c1ccc(C(=O)CCC(=O)O)o1.
What is the InChIKey of 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid?
The InChIKey is QZPMJUUYIRZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-6(11)8-3-4-9(15-8)7(12)2-5-10(13)14/h3-4,6,11H,2,5H2,1H3,(H,13,14).
What are the key properties of 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid?
4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid has a molecular weight of 212.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoic acid is sourced from PubChem (CID 11658554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).