5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one

C11H11ClO3 — CID 50901436

IUPAC5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H11ClO3/c1-11(2)14-9(10(13)15-11)7-4-3-5-8(12)6-7/h3-6,9H,1-2H3
InChIKeyOWGMVKLUURVSNC-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.69
Rot. Bonds1

About 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one

5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 50901436) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID50901436
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C11H11ClO3/c1-11(2)14-9(10(13)15-11)7-4-3-5-8(12)6-7/h3-6,9H,1-2H3
InChIKeyOWGMVKLUURVSNC-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one (CID 50901436) is 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)C(c2cccc(Cl)c2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is OWGMVKLUURVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-11(2)14-9(10(13)15-11)7-4-3-5-8(12)6-7/h3-6,9H,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one?
5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 226.66 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 50901436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).