ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate

C17H17ClO3 — CID 54148277

IUPACethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(OC)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-3-21-16(19)17(20-2,13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12H,3H2,1-2H3
InChIKeyOFXNMMCXQGLGOK-UHFFFAOYSA-N
MW304.77 g/mol
LogP3.79
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate

ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate (PubChem CID 54148277) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
PubChem CID54148277
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(OC)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c1-3-21-16(19)17(20-2,13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12H,3H2,1-2H3
InChIKeyOFXNMMCXQGLGOK-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
ethyl 2,2-bis(3,5-dimethylphenyl)-2-methoxyacetate
CID 54018003
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
ethyl 2-benzyl-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 71516313
2-(4-chlorophenyl)-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974743

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate (CID 54148277) is ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate is CCOC(=O)C(OC)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate?
The InChIKey is OFXNMMCXQGLGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-3-21-16(19)17(20-2,13-7-5-4-6-8-13)14-9-11-15(18)12-10-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate?
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate has a molecular weight of 304.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 54148277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).