3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one

C17H11Cl2FO3 — CID 67317293

IUPAC3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one
SMILESO=C1OC(O)=CC1Cc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H11Cl2FO3/c18-14-6-10(9-1-3-12(20)4-2-9)7-15(19)13(14)5-11-8-16(21)23-17(11)22/h1-4,6-8,11,21H,5H2
InChIKeyOAAXUOMFOAQMJU-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.91
Rot. Bonds3

About 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one

3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one (PubChem CID 67317293) has the molecular formula C17H11Cl2FO3 and a molecular weight of 353.18 g/mol. Its IUPAC name is 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one.

Molecular Properties

Compound Name3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one
PubChem CID67317293
Molecular FormulaC17H11Cl2FO3
Molecular Weight353.18 g/mol
Exact Mass352.01
IUPAC Name3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one
SMILESO=C1OC(O)=CC1Cc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H11Cl2FO3/c18-14-6-10(9-1-3-12(20)4-2-9)7-15(19)13(14)5-11-8-16(21)23-17(11)22/h1-4,6-8,11,21H,5H2
InChIKeyOAAXUOMFOAQMJU-UHFFFAOYSA-N
XLogP4.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one?
The IUPAC name of 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one (CID 67317293) is 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one.
What is the SMILES notation for 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one?
The canonical SMILES for 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one is O=C1OC(O)=CC1Cc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one?
The InChIKey is OAAXUOMFOAQMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FO3/c18-14-6-10(9-1-3-12(20)4-2-9)7-15(19)13(14)5-11-8-16(21)23-17(11)22/h1-4,6-8,11,21H,5H2.
What are the key properties of 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one?
3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one has a molecular weight of 353.18 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one is sourced from PubChem (CID 67317293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).