2,2-bis(4-chlorophenyl)acetate

C14H9Cl2O2- — CID 4616189

IUPAC2,2-bis(4-chlorophenyl)acetate
SMILESO=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)/p-1
InChIKeyYIOCIFXUGBYCJR-UHFFFAOYSA-M
MW280.13 g/mol
LogP2.88
Rot. Bonds3

About 2,2-bis(4-chlorophenyl)acetate

2,2-bis(4-chlorophenyl)acetate (PubChem CID 4616189) has the molecular formula C14H9Cl2O2- and a molecular weight of 280.13 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)acetate.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)acetate
PubChem CID4616189
Molecular FormulaC14H9Cl2O2-
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name2,2-bis(4-chlorophenyl)acetate
SMILESO=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)/p-1
InChIKeyYIOCIFXUGBYCJR-UHFFFAOYSA-M
XLogP2.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-bis(4-chlorophenyl)acetate 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 2,2-bis(4-chlorophenyl)acetate?
The IUPAC name of 2,2-bis(4-chlorophenyl)acetate (CID 4616189) is 2,2-bis(4-chlorophenyl)acetate.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)acetate?
The canonical SMILES for 2,2-bis(4-chlorophenyl)acetate is O=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)acetate?
The InChIKey is YIOCIFXUGBYCJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)/p-1.
What are the key properties of 2,2-bis(4-chlorophenyl)acetate?
2,2-bis(4-chlorophenyl)acetate has a molecular weight of 280.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)acetate is sourced from PubChem (CID 4616189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).