4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one

C12H11ClO2 — CID 506554

IUPAC4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one
SMILESCCC1C=C(c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C12H11ClO2/c1-2-10-7-11(12(14)15-10)8-3-5-9(13)6-4-8/h3-7,10H,2H2,1H3
InChIKeyNLIIQAUZLAIBBO-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.06
Rot. Bonds2

About 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one

4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one (PubChem CID 506554) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one
PubChem CID506554
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one
SMILESCCC1C=C(c2ccc(Cl)cc2)C(=O)O1
InChIInChI=1S/C12H11ClO2/c1-2-10-7-11(12(14)15-10)8-3-5-9(13)6-4-8/h3-7,10H,2H2,1H3
InChIKeyNLIIQAUZLAIBBO-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one?
The IUPAC name of 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one (CID 506554) is 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one is CCC1C=C(c2ccc(Cl)cc2)C(=O)O1.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one?
The InChIKey is NLIIQAUZLAIBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-2-10-7-11(12(14)15-10)8-3-5-9(13)6-4-8/h3-7,10H,2H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one?
4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one has a molecular weight of 222.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethyl-2H-furan-5-one is sourced from PubChem (CID 506554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).