5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid

C9H12O4 — CID 21243563

IUPAC5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid
SMILESCc1cc(OC(C)C)c(C(=O)O)o1
InChIInChI=1S/C9H12O4/c1-5(2)12-7-4-6(3)13-8(7)9(10)11/h4-5H,1-3H3,(H,10,11)
InChIKeyVTNILUNPXOVTPX-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.07
Rot. Bonds3

About 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid

5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid (PubChem CID 21243563) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid
PubChem CID21243563
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid
SMILESCc1cc(OC(C)C)c(C(=O)O)o1
InChIInChI=1S/C9H12O4/c1-5(2)12-7-4-6(3)13-8(7)9(10)11/h4-5H,1-3H3,(H,10,11)
InChIKeyVTNILUNPXOVTPX-UHFFFAOYSA-N
XLogP2.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid?
The IUPAC name of 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid (CID 21243563) is 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid is Cc1cc(OC(C)C)c(C(=O)O)o1.
What is the InChIKey of 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid?
The InChIKey is VTNILUNPXOVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-5(2)12-7-4-6(3)13-8(7)9(10)11/h4-5H,1-3H3,(H,10,11).
What are the key properties of 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid?
5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yloxyfuran-2-carboxylic acid is sourced from PubChem (CID 21243563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).