2-(2-methylfuran-3-yl)acetic acid

C7H8O3 — CID 13447558

IUPAC2-(2-methylfuran-3-yl)acetic acid
SMILESCc1occc1CC(=O)O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeySLTDWNOILKUZKD-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.22
Rot. Bonds2

About 2-(2-methylfuran-3-yl)acetic acid

2-(2-methylfuran-3-yl)acetic acid (PubChem CID 13447558) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)acetic acid
PubChem CID13447558
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-(2-methylfuran-3-yl)acetic acid
SMILESCc1occc1CC(=O)O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKeySLTDWNOILKUZKD-UHFFFAOYSA-N
XLogP1.22
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)acetic acid?
The IUPAC name of 2-(2-methylfuran-3-yl)acetic acid (CID 13447558) is 2-(2-methylfuran-3-yl)acetic acid.
What is the SMILES notation for 2-(2-methylfuran-3-yl)acetic acid?
The canonical SMILES for 2-(2-methylfuran-3-yl)acetic acid is Cc1occc1CC(=O)O.
What is the InChIKey of 2-(2-methylfuran-3-yl)acetic acid?
The InChIKey is SLTDWNOILKUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-6(2-3-10-5)4-7(8)9/h2-3H,4H2,1H3,(H,8,9).
What are the key properties of 2-(2-methylfuran-3-yl)acetic acid?
2-(2-methylfuran-3-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)acetic acid is sourced from PubChem (CID 13447558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).