2,4,5-trimethylfuran-3-carboxylic acid

C8H10O3 — CID 7131507

IUPAC2,4,5-trimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(C(=O)O)c1C
InChIInChI=1S/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10)
InChIKeyBAZBYDHOWMSZBD-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.90
Rot. Bonds1

About 2,4,5-trimethylfuran-3-carboxylic acid

2,4,5-trimethylfuran-3-carboxylic acid (PubChem CID 7131507) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,4,5-trimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2,4,5-trimethylfuran-3-carboxylic acid
PubChem CID7131507
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2,4,5-trimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(C(=O)O)c1C
InChIInChI=1S/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10)
InChIKeyBAZBYDHOWMSZBD-UHFFFAOYSA-N
XLogP1.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylfuran-3-carboxylic acid?
The IUPAC name of 2,4,5-trimethylfuran-3-carboxylic acid (CID 7131507) is 2,4,5-trimethylfuran-3-carboxylic acid.
What is the SMILES notation for 2,4,5-trimethylfuran-3-carboxylic acid?
The canonical SMILES for 2,4,5-trimethylfuran-3-carboxylic acid is Cc1oc(C)c(C(=O)O)c1C.
What is the InChIKey of 2,4,5-trimethylfuran-3-carboxylic acid?
The InChIKey is BAZBYDHOWMSZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-5(2)11-6(3)7(4)8(9)10/h1-3H3,(H,9,10).
What are the key properties of 2,4,5-trimethylfuran-3-carboxylic acid?
2,4,5-trimethylfuran-3-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylfuran-3-carboxylic acid is sourced from PubChem (CID 7131507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).