(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate

C11H9ClO5 — CID 134599628

IUPAC(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCc2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)5-15-10(13)9-6-16-11(14)17-9/h1-4,9H,5-6H2
InChIKeyQCXABUCPHYRKKV-UHFFFAOYSA-N
MW256.64 g/mol
LogP1.92
Rot. Bonds3

About (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate

(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599628) has the molecular formula C11H9ClO5 and a molecular weight of 256.64 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599628
Molecular FormulaC11H9ClO5
Molecular Weight256.64 g/mol
Exact Mass256.01
IUPAC Name(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OCc2ccc(Cl)cc2)O1
InChIInChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)5-15-10(13)9-6-16-11(14)17-9/h1-4,9H,5-6H2
InChIKeyQCXABUCPHYRKKV-UHFFFAOYSA-N
XLogP1.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599628) is (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OCc2ccc(Cl)cc2)O1.
What is the InChIKey of (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is QCXABUCPHYRKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO5/c12-8-3-1-7(2-4-8)5-15-10(13)9-6-16-11(14)17-9/h1-4,9H,5-6H2.
What are the key properties of (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate?
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 256.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).