4-(2-chlorophenoxy)oxolane-3-carboxylic acid

C11H11ClO4 — CID 83488051

IUPAC4-(2-chlorophenoxy)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Oc1ccccc1Cl
InChIInChI=1S/C11H11ClO4/c12-8-3-1-2-4-9(8)16-10-6-15-5-7(10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14)
InChIKeyPMHUKHFCFWCPSW-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.82
Rot. Bonds3

About 4-(2-chlorophenoxy)oxolane-3-carboxylic acid

4-(2-chlorophenoxy)oxolane-3-carboxylic acid (PubChem CID 83488051) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenoxy)oxolane-3-carboxylic acid
PubChem CID83488051
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name4-(2-chlorophenoxy)oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1Oc1ccccc1Cl
InChIInChI=1S/C11H11ClO4/c12-8-3-1-2-4-9(8)16-10-6-15-5-7(10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14)
InChIKeyPMHUKHFCFWCPSW-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenoxy)oxolane-3-carboxylic acid (CID 83488051) is 4-(2-chlorophenoxy)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenoxy)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenoxy)oxolane-3-carboxylic acid is O=C(O)C1COCC1Oc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)oxolane-3-carboxylic acid?
The InChIKey is PMHUKHFCFWCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c12-8-3-1-2-4-9(8)16-10-6-15-5-7(10)11(13)14/h1-4,7,10H,5-6H2,(H,13,14).
What are the key properties of 4-(2-chlorophenoxy)oxolane-3-carboxylic acid?
4-(2-chlorophenoxy)oxolane-3-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)oxolane-3-carboxylic acid is sourced from PubChem (CID 83488051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).