2-(5-chloro-2-methylfuran-3-yl)acetic acid

C7H7ClO3 — CID 82653616

IUPAC2-(5-chloro-2-methylfuran-3-yl)acetic acid
SMILESCc1oc(Cl)cc1CC(=O)O
InChIInChI=1S/C7H7ClO3/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKeyWQRCTUWVKWUQSZ-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.87
Rot. Bonds2

About 2-(5-chloro-2-methylfuran-3-yl)acetic acid

2-(5-chloro-2-methylfuran-3-yl)acetic acid (PubChem CID 82653616) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 2-(5-chloro-2-methylfuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methylfuran-3-yl)acetic acid
PubChem CID82653616
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name2-(5-chloro-2-methylfuran-3-yl)acetic acid
SMILESCc1oc(Cl)cc1CC(=O)O
InChIInChI=1S/C7H7ClO3/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKeyWQRCTUWVKWUQSZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylfuran-3-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-methylfuran-3-yl)acetic acid (CID 82653616) is 2-(5-chloro-2-methylfuran-3-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methylfuran-3-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methylfuran-3-yl)acetic acid is Cc1oc(Cl)cc1CC(=O)O.
What is the InChIKey of 2-(5-chloro-2-methylfuran-3-yl)acetic acid?
The InChIKey is WQRCTUWVKWUQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO3/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10).
What are the key properties of 2-(5-chloro-2-methylfuran-3-yl)acetic acid?
2-(5-chloro-2-methylfuran-3-yl)acetic acid has a molecular weight of 174.58 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylfuran-3-yl)acetic acid is sourced from PubChem (CID 82653616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).