propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

C17H16Cl2O3 — CID 22094

IUPACpropan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESCC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKeyAXGUBXVWZBFQGA-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.18
Rot. Bonds4

About propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (PubChem CID 22094) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
PubChem CID22094
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Namepropan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESCC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
InChIKeyAXGUBXVWZBFQGA-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate 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 propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (CID 22094) is propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The InChIKey is AXGUBXVWZBFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3.
What are the key properties of propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate has a molecular weight of 339.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 22094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).