2-(4,5-dimethylfuran-2-yl)acetic acid

C8H10O3 — CID 21260728

IUPAC2-(4,5-dimethylfuran-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)oc1C
InChIInChI=1S/C8H10O3/c1-5-3-7(4-8(9)10)11-6(5)2/h3H,4H2,1-2H3,(H,9,10)
InChIKeyRVOZAOXYRKODND-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.52
Rot. Bonds2

About 2-(4,5-dimethylfuran-2-yl)acetic acid

2-(4,5-dimethylfuran-2-yl)acetic acid (PubChem CID 21260728) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-2-yl)acetic acid
PubChem CID21260728
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(4,5-dimethylfuran-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)oc1C
InChIInChI=1S/C8H10O3/c1-5-3-7(4-8(9)10)11-6(5)2/h3H,4H2,1-2H3,(H,9,10)
InChIKeyRVOZAOXYRKODND-UHFFFAOYSA-N
XLogP1.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetyl-2,5-dimethylfuran
CID 61527
3-Carboxy-4-Methyl-5-Propyl-2-Furanpropanoic Acid
CID 123979
3-(5-Phenylfuran-2-yl)propanoic acid
CID 593970
2-Methyl-5-phenylfuran-3-carboxylic acid
CID 736516
2,5-Dimethyl-3-furoic acid
CID 69465
3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester
CID 80248
2-Phenylfuran-3-carboxylic acid
CID 234849
(2E)-3-(5-Phenyl-2-furanyl)-2-propenoic acid
CID 836337
(3Z)-5-(2-methylpropyl)-3-[(5-phenylfuran-2-yl)methylidene]furan-2(3H)-one
CID 1918570
3-(5-p-Tolyl-furan-2-yl)-propionic acid
CID 797772
2-[(2,5-Dimethyl-3-furoyl)oxy]benzoic acid
CID 877366
2-Methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 1510917

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-2-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethylfuran-2-yl)acetic acid (CID 21260728) is 2-(4,5-dimethylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethylfuran-2-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethylfuran-2-yl)acetic acid is Cc1cc(CC(=O)O)oc1C.
What is the InChIKey of 2-(4,5-dimethylfuran-2-yl)acetic acid?
The InChIKey is RVOZAOXYRKODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-7(4-8(9)10)11-6(5)2/h3H,4H2,1-2H3,(H,9,10).
What are the key properties of 2-(4,5-dimethylfuran-2-yl)acetic acid?
2-(4,5-dimethylfuran-2-yl)acetic acid has a molecular weight of 154.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-2-yl)acetic acid is sourced from PubChem (CID 21260728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).