3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid

C6H8O4 — CID 155589962

IUPAC3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid
SMILESCC1OC(C(=O)O)=CC1O
InChIInChI=1S/C6H8O4/c1-3-4(7)2-5(10-3)6(8)9/h2-4,7H,1H3,(H,8,9)
InChIKeyYQYFRLLUQQBHPW-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.27
Rot. Bonds1

About 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid

3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid (PubChem CID 155589962) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid
PubChem CID155589962
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid
SMILESCC1OC(C(=O)O)=CC1O
InChIInChI=1S/C6H8O4/c1-3-4(7)2-5(10-3)6(8)9/h2-4,7H,1H3,(H,8,9)
InChIKeyYQYFRLLUQQBHPW-UHFFFAOYSA-N
XLogP-0.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid?
The IUPAC name of 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid (CID 155589962) is 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid is CC1OC(C(=O)O)=CC1O.
What is the InChIKey of 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid?
The InChIKey is YQYFRLLUQQBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-3-4(7)2-5(10-3)6(8)9/h2-4,7H,1H3,(H,8,9).
What are the key properties of 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid?
3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2,3-dihydrofuran-5-carboxylic acid is sourced from PubChem (CID 155589962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).