ethyl 2-(2-chlorophenyl)-3-phenylpropanoate

C17H17ClO2 — CID 169227908

IUPACethyl 2-(2-chlorophenyl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClO2/c1-2-20-17(19)15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3
InChIKeyVLELVYSOJUXXHJ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.23
Rot. Bonds5

About ethyl 2-(2-chlorophenyl)-3-phenylpropanoate

ethyl 2-(2-chlorophenyl)-3-phenylpropanoate (PubChem CID 169227908) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-3-phenylpropanoate
PubChem CID169227908
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-(2-chlorophenyl)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClO2/c1-2-20-17(19)15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3
InChIKeyVLELVYSOJUXXHJ-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
2-(2-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2R)-2-benzyl-3-oxopentanoate
CID 102294334
diethyl (2S)-2-benzylbutanedioate
CID 24748926
carbamic acid;3-(2-chlorophenyl)hexan-2-one
CID 145375044

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-3-phenylpropanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-3-phenylpropanoate (CID 169227908) is ethyl 2-(2-chlorophenyl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-3-phenylpropanoate?
The InChIKey is VLELVYSOJUXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-2-20-17(19)15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)18/h3-11,15H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-3-phenylpropanoate?
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate has a molecular weight of 288.77 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-3-phenylpropanoate is sourced from PubChem (CID 169227908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).