5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid

C13H15ClO4 — CID 62300450

IUPAC5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCc2ccccc2Cl)O1
InChIInChI=1S/C13H15ClO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-4,10,12H,5-8H2,(H,15,16)
InChIKeyFWQXHTHMRABDKZ-UHFFFAOYSA-N
MW270.71 g/mol
LogP2.49
Rot. Bonds5

About 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid

5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid (PubChem CID 62300450) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
PubChem CID62300450
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCc2ccccc2Cl)O1
InChIInChI=1S/C13H15ClO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-4,10,12H,5-8H2,(H,15,16)
InChIKeyFWQXHTHMRABDKZ-UHFFFAOYSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid (CID 62300450) is 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(COCc2ccccc2Cl)O1.
What is the InChIKey of 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid?
The InChIKey is FWQXHTHMRABDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c14-11-4-2-1-3-9(11)7-17-8-10-5-6-12(18-10)13(15)16/h1-4,10,12H,5-8H2,(H,15,16).
What are the key properties of 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid?
5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid has a molecular weight of 270.71 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62300450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).