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

C19H19ClO4 — CID 139713807

IUPACethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClO4/c1-3-23-19(22)17(14-9-5-4-6-10-14)18(24-13(2)21)15-11-7-8-12-16(15)20/h4-12,17-18H,3H2,1-2H3
InChIKeyODRUPXRIOWRWJB-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.29
Rot. Bonds6

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

ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate (PubChem CID 139713807) has the molecular formula C19H19ClO4 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
PubChem CID139713807
Molecular FormulaC19H19ClO4
Molecular Weight346.81 g/mol
Exact Mass346.10
IUPAC Nameethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H19ClO4/c1-3-23-19(22)17(14-9-5-4-6-10-14)18(24-13(2)21)15-11-7-8-12-16(15)20/h4-12,17-18H,3H2,1-2H3
InChIKeyODRUPXRIOWRWJB-UHFFFAOYSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
CID 139713811
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
1-(2-chlorophenyl)pentyl acetate
CID 141200843
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
diethyl 2-phenyl-3-[(E)-prop-1-enyl]butanedioate
CID 14241585
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
(2-methyl-3-oxo-1-phenylpropyl) acetate
CID 122223707

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate?
The IUPAC name of ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate (CID 139713807) is ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate.
What is the SMILES notation for ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate?
The canonical SMILES for ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate is CCOC(=O)C(c1ccccc1)C(OC(C)=O)c1ccccc1Cl.
What is the InChIKey of ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate?
The InChIKey is ODRUPXRIOWRWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO4/c1-3-23-19(22)17(14-9-5-4-6-10-14)18(24-13(2)21)15-11-7-8-12-16(15)20/h4-12,17-18H,3H2,1-2H3.
What are the key properties of ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate?
ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate has a molecular weight of 346.81 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetyloxy-3-(2-chlorophenyl)-2-phenylpropanoate is sourced from PubChem (CID 139713807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).