ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

C16H14Cl2O3 — CID 10522

IUPACethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
InChIKeyRAPBNVDSDCTNRC-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.79
Rot. Bonds4

About ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate

ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (PubChem CID 10522) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
PubChem CID10522
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Nameethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
InChIKeyRAPBNVDSDCTNRC-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate (CID 10522) is ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
The InChIKey is RAPBNVDSDCTNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3.
What are the key properties of ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate?
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate has a molecular weight of 325.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 10522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).