(4R)-4-(2,4-dichlorophenyl)oxan-2-one

C11H10Cl2O2 — CID 134942988

IUPAC(4R)-4-(2,4-dichlorophenyl)oxan-2-one
SMILESO=C1C[C@H](c2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C11H10Cl2O2/c12-8-1-2-9(10(13)6-8)7-3-4-15-11(14)5-7/h1-2,6-7H,3-5H2/t7-/m1/s1
InChIKeyIMNQRQLDFSRBFV-SSDOTTSWSA-N
MW245.10 g/mol
LogP3.41
Rot. Bonds1

About (4R)-4-(2,4-dichlorophenyl)oxan-2-one

(4R)-4-(2,4-dichlorophenyl)oxan-2-one (PubChem CID 134942988) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)oxan-2-one
PubChem CID134942988
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name(4R)-4-(2,4-dichlorophenyl)oxan-2-one
SMILESO=C1C[C@H](c2ccc(Cl)cc2Cl)CCO1
InChIInChI=1S/C11H10Cl2O2/c12-8-1-2-9(10(13)6-8)7-3-4-15-11(14)5-7/h1-2,6-7H,3-5H2/t7-/m1/s1
InChIKeyIMNQRQLDFSRBFV-SSDOTTSWSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2,4-dichlorophenyl)oxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)oxan-2-one?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)oxan-2-one (CID 134942988) is (4R)-4-(2,4-dichlorophenyl)oxan-2-one.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)oxan-2-one?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)oxan-2-one is O=C1C[C@H](c2ccc(Cl)cc2Cl)CCO1.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)oxan-2-one?
The InChIKey is IMNQRQLDFSRBFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-8-1-2-9(10(13)6-8)7-3-4-15-11(14)5-7/h1-2,6-7H,3-5H2/t7-/m1/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)oxan-2-one?
(4R)-4-(2,4-dichlorophenyl)oxan-2-one has a molecular weight of 245.10 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenyl)oxan-2-one is sourced from PubChem (CID 134942988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).