ethyl 2-(2-chlorophenyl)-2-phenoxyacetate

C16H15ClO3 — CID 117065643

IUPACethyl 2-(2-chlorophenyl)-2-phenoxyacetate
SMILESCCOC(=O)C(Oc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClO3/c1-2-19-16(18)15(13-10-6-7-11-14(13)17)20-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3
InChIKeyMCIMPJRSMPOPQE-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.02
Rot. Bonds5

About ethyl 2-(2-chlorophenyl)-2-phenoxyacetate

ethyl 2-(2-chlorophenyl)-2-phenoxyacetate (PubChem CID 117065643) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-phenoxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-phenoxyacetate
PubChem CID117065643
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Nameethyl 2-(2-chlorophenyl)-2-phenoxyacetate
SMILESCCOC(=O)C(Oc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClO3/c1-2-19-16(18)15(13-10-6-7-11-14(13)17)20-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3
InChIKeyMCIMPJRSMPOPQE-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
CID 139713807
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
diethyl 2-phenoxybutanedioate
CID 72766015
1-(2-chlorophenyl)-1-methoxybutan-2-one
CID 83226542

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-phenoxyacetate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-phenoxyacetate (CID 117065643) is ethyl 2-(2-chlorophenyl)-2-phenoxyacetate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-phenoxyacetate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-phenoxyacetate is CCOC(=O)C(Oc1ccccc1)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-phenoxyacetate?
The InChIKey is MCIMPJRSMPOPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-16(18)15(13-10-6-7-11-14(13)17)20-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-phenoxyacetate?
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate has a molecular weight of 290.75 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-phenoxyacetate is sourced from PubChem (CID 117065643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).