2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate

C19H14Cl2O5 — CID 71770897

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(Cl)cc2Cl)=C1c1ccccc1
InChIInChI=1S/C19H14Cl2O5/c20-13-6-7-14(15(21)10-13)18(22)25-9-8-24-16-11-26-19(23)17(16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFBJVSHGRNPLSQD-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.13
Rot. Bonds6

About 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate (PubChem CID 71770897) has the molecular formula C19H14Cl2O5 and a molecular weight of 393.22 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate
PubChem CID71770897
Molecular FormulaC19H14Cl2O5
Molecular Weight393.22 g/mol
Exact Mass392.02
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(Cl)cc2Cl)=C1c1ccccc1
InChIInChI=1S/C19H14Cl2O5/c20-13-6-7-14(15(21)10-13)18(22)25-9-8-24-16-11-26-19(23)17(16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyFBJVSHGRNPLSQD-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.13
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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Related Compounds

Spirodiclofen
CID 177863
2,4-Dichlorobenzoyl peroxide
CID 61078
Benzoic acid, 2,4-dichloro-, ethyl ester
CID 42026
Bis(4-chlorobenzoic) anhydride
CID 69923
Methyl 2,4-dichlorobenzoate
CID 37055
Bis(2,6-dichlorobenzoic) anhydride
CID 85423
Ethyl 2,6-dichlorobenzoate
CID 2737439
Benzoic acid, 2,4,6-trichloro-, ethyl ester
CID 91733956
[4-(3,4-dichlorophenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
CID 487991
4-(2,4-dichlorophenyl)-3-(4-methylphenyl)-2H-furan-5-one
CID 141820248
Benzyl 2-chlorobenzoate
CID 222393
Benzoic acid, 2,4-dichloro-, chloromethyl ester
CID 51012

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate (CID 71770897) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate is O=C1OCC(OCCOC(=O)c2ccc(Cl)cc2Cl)=C1c1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate?
The InChIKey is FBJVSHGRNPLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O5/c20-13-6-7-14(15(21)10-13)18(22)25-9-8-24-16-11-26-19(23)17(16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate has a molecular weight of 393.22 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2,4-dichlorobenzoate is sourced from PubChem (CID 71770897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).