4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one

C12H10Cl2O3 — CID 3068213

IUPAC4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O3/c1-6(15)7-5-10(16)17-12(7)11-8(13)3-2-4-9(11)14/h2-4,7,12H,5H2,1H3
InChIKeyHKIXLCQZQIUSOR-UHFFFAOYSA-N
MW273.11 g/mol
LogP3.19
Rot. Bonds2

About 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one

4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one (PubChem CID 3068213) has the molecular formula C12H10Cl2O3 and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one.

Molecular Properties

Compound Name4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one
PubChem CID3068213
Molecular FormulaC12H10Cl2O3
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one
SMILESCC(=O)C1CC(=O)OC1c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2O3/c1-6(15)7-5-10(16)17-12(7)11-8(13)3-2-4-9(11)14/h2-4,7,12H,5H2,1H3
InChIKeyHKIXLCQZQIUSOR-UHFFFAOYSA-N
XLogP3.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one?
The IUPAC name of 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one (CID 3068213) is 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one.
What is the SMILES notation for 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one?
The canonical SMILES for 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one is CC(=O)C1CC(=O)OC1c1c(Cl)cccc1Cl.
What is the InChIKey of 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one?
The InChIKey is HKIXLCQZQIUSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O3/c1-6(15)7-5-10(16)17-12(7)11-8(13)3-2-4-9(11)14/h2-4,7,12H,5H2,1H3.
What are the key properties of 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one?
4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one has a molecular weight of 273.11 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-(2,6-dichlorophenyl)oxolan-2-one is sourced from PubChem (CID 3068213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).