2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate

C20H16Cl2O5 — CID 71769134

IUPAC2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1
InChIInChI=1S/C20H16Cl2O5/c21-15-5-1-13(2-6-15)11-18(23)26-10-9-25-17-12-27-20(24)19(17)14-3-7-16(22)8-4-14/h1-8H,9-12H2
InChIKeyKCYPROVBWNVYEB-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.06
Rot. Bonds7

About 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate

2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate (PubChem CID 71769134) has the molecular formula C20H16Cl2O5 and a molecular weight of 407.25 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate
PubChem CID71769134
Molecular FormulaC20H16Cl2O5
Molecular Weight407.25 g/mol
Exact Mass406.04
IUPAC Name2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1
InChIInChI=1S/C20H16Cl2O5/c21-15-5-1-13(2-6-15)11-18(23)26-10-9-25-17-12-27-20(24)19(17)14-3-7-16(22)8-4-14/h1-8H,9-12H2
InChIKeyKCYPROVBWNVYEB-UHFFFAOYSA-N
XLogP4.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate?
The IUPAC name of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate (CID 71769134) is 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCCOC1=C(c2ccc(Cl)cc2)C(=O)OC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate?
The InChIKey is KCYPROVBWNVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O5/c21-15-5-1-13(2-6-15)11-18(23)26-10-9-25-17-12-27-20(24)19(17)14-3-7-16(22)8-4-14/h1-8H,9-12H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate?
2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate has a molecular weight of 407.25 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 71769134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).