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

C19H15ClO5 — CID 71770778

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(Cl)cc2)=C1c1ccccc1
InChIInChI=1S/C19H15ClO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyAXAPYDYBSSUBQR-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.48
Rot. Bonds6

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

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate (PubChem CID 71770778) has the molecular formula C19H15ClO5 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate
PubChem CID71770778
Molecular FormulaC19H15ClO5
Molecular Weight358.78 g/mol
Exact Mass358.06
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(Cl)cc2)=C1c1ccccc1
InChIInChI=1S/C19H15ClO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyAXAPYDYBSSUBQR-UHFFFAOYSA-N
XLogP3.48
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.48
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

Ethylene dibenzoate
CID 66750
Bis(4-chlorobenzoyl) peroxide
CID 7179
Methyl 4-chlorobenzoate
CID 14307
3-(4-Chlorobenzal)phthalide, (Z)-
CID 6538043
Ethyl 4-chlorobenzoate
CID 81785
Ethyl 3-chlorobenzoate
CID 70785
5,5-Dimethyl-3-oxo-1-cyclohexenyl 4-chlorobenzenecarboxylate
CID 2732003
Methyl 2-(4-chlorophenyl)benzoate
CID 1394484
Bis(4-chlorobenzoic) anhydride
CID 69923
[4-(3,4-dichlorophenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
CID 487991
3-(3-Chlorophenyl)-5-acetyloxymethyl-2H,5H-furan-2-one
CID 487995
[4-(4-bromophenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
CID 487997

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate (CID 71770778) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate is O=C1OCC(OCCOC(=O)c2ccc(Cl)cc2)=C1c1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate?
The InChIKey is AXAPYDYBSSUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-chlorobenzoate has a molecular weight of 358.78 g/mol, XLogP of 3.48, 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 4-chlorobenzoate is sourced from PubChem (CID 71770778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).