ethyl 2-bis(4-chlorophenyl)phosphorylacetate

C16H15Cl2O3P — CID 1378711

IUPACethyl 2-bis(4-chlorophenyl)phosphorylacetate
SMILESCCOC(=O)CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2O3P/c1-2-21-16(19)11-22(20,14-7-3-12(17)4-8-14)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3
InChIKeyHDSIABOOBJGHCQ-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.87
Rot. Bonds5

About ethyl 2-bis(4-chlorophenyl)phosphorylacetate

ethyl 2-bis(4-chlorophenyl)phosphorylacetate (PubChem CID 1378711) has the molecular formula C16H15Cl2O3P and a molecular weight of 357.17 g/mol. Its IUPAC name is ethyl 2-bis(4-chlorophenyl)phosphorylacetate.

Molecular Properties

Compound Nameethyl 2-bis(4-chlorophenyl)phosphorylacetate
PubChem CID1378711
Molecular FormulaC16H15Cl2O3P
Molecular Weight357.17 g/mol
Exact Mass356.01
IUPAC Nameethyl 2-bis(4-chlorophenyl)phosphorylacetate
SMILESCCOC(=O)CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2O3P/c1-2-21-16(19)11-22(20,14-7-3-12(17)4-8-14)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3
InChIKeyHDSIABOOBJGHCQ-UHFFFAOYSA-N
XLogP3.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 3-(4-chlorophenyl)-3-oxo(314C)propanoate
CID 54753469
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
5-O-(4-chlorophenyl) 1-O-ethyl pentanedioate
CID 91718068
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 14923350
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
ethyl 2-diethylphosphorylacetate
CID 564639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bis(4-chlorophenyl)phosphorylacetate?
The IUPAC name of ethyl 2-bis(4-chlorophenyl)phosphorylacetate (CID 1378711) is ethyl 2-bis(4-chlorophenyl)phosphorylacetate.
What is the SMILES notation for ethyl 2-bis(4-chlorophenyl)phosphorylacetate?
The canonical SMILES for ethyl 2-bis(4-chlorophenyl)phosphorylacetate is CCOC(=O)CP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-bis(4-chlorophenyl)phosphorylacetate?
The InChIKey is HDSIABOOBJGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2O3P/c1-2-21-16(19)11-22(20,14-7-3-12(17)4-8-14)15-9-5-13(18)6-10-15/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-bis(4-chlorophenyl)phosphorylacetate?
ethyl 2-bis(4-chlorophenyl)phosphorylacetate has a molecular weight of 357.17 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bis(4-chlorophenyl)phosphorylacetate is sourced from PubChem (CID 1378711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).