ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate

C11H10Cl4O3 — CID 121224519

IUPACethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate
SMILESCCOC(=O)OC(c1ccccc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl4O3/c1-2-17-10(16)18-9(11(13,14)15)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3
InChIKeyHVQHBRHKGTZLNO-UHFFFAOYSA-N
MW332.01 g/mol
LogP4.92
Rot. Bonds3

About ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate

ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate (PubChem CID 121224519) has the molecular formula C11H10Cl4O3 and a molecular weight of 332.01 g/mol. Its IUPAC name is ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate.

Molecular Properties

Compound Nameethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate
PubChem CID121224519
Molecular FormulaC11H10Cl4O3
Molecular Weight332.01 g/mol
Exact Mass329.94
IUPAC Nameethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate
SMILESCCOC(=O)OC(c1ccccc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C11H10Cl4O3/c1-2-17-10(16)18-9(11(13,14)15)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3
InChIKeyHVQHBRHKGTZLNO-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.01
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
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CID 102417450
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
ethyl 3-bromo-3-(2-chlorophenyl)-2-oxopropanoate
CID 22437394
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
ethyl (E)-2-[(2-chlorophenyl)-hydroxymethyl]but-2-enoate
CID 118722964
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-(2-chlorophenyl)butanoate
CID 22456439
1-(2-chlorophenyl)-1-methoxybutan-2-one
CID 83226542

Frequently Asked Questions

What is the IUPAC name of ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate?
The IUPAC name of ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate (CID 121224519) is ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate.
What is the SMILES notation for ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate?
The canonical SMILES for ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate is CCOC(=O)OC(c1ccccc1Cl)C(Cl)(Cl)Cl.
What is the InChIKey of ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate?
The InChIKey is HVQHBRHKGTZLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4O3/c1-2-17-10(16)18-9(11(13,14)15)7-5-3-4-6-8(7)12/h3-6,9H,2H2,1H3.
What are the key properties of ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate?
ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate has a molecular weight of 332.01 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate is sourced from PubChem (CID 121224519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).