5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one

C18H12Cl2O4 — CID 2783987

IUPAC5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one
SMILESO=C(CC1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2O4/c19-13-5-1-11(2-6-13)15(21)10-18(23)17(22)9-16(24-18)12-3-7-14(20)8-4-12/h1-9,23H,10H2
InChIKeyUBSRQGFUSLVLTG-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.90
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one

5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one (PubChem CID 2783987) has the molecular formula C18H12Cl2O4 and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one
PubChem CID2783987
Molecular FormulaC18H12Cl2O4
Molecular Weight363.20 g/mol
Exact Mass362.01
IUPAC Name5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one
SMILESO=C(CC1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2O4/c19-13-5-1-11(2-6-13)15(21)10-18(23)17(22)9-16(24-18)12-3-7-14(20)8-4-12/h1-9,23H,10H2
InChIKeyUBSRQGFUSLVLTG-UHFFFAOYSA-N
XLogP3.90
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-2(5H)-furanone
CID 6620813
[3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone
CID 248779
2-Hydroxy-2-(2-oxo-2-phenylethyl)-5-phenyl-3(2H)-furanone
CID 550436
3(2H)-Furanone, 5-(4-chlorophenyl)-2-(2-(4-chlorophenyl)-2-oxoethylidene)-
CID 2274407
4-(4-chlorobenzoyl)-3-hydroxy-5-phenylfuran-2(5H)-one
CID 9551863
[3-(4-Chloro-phenyl)-oxiranyl]-phenyl-methanone
CID 1476950
(4-Chlorophenyl)(3-phenyloxiran-2-yl)methanone
CID 231109
[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
CID 1476949
(4-Chlorophenyl)[3-(4-chlorophenyl)oxiran-2-yl]methanone
CID 15313513
2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenyl-3(2H)-furanone
CID 1550412
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one
CID 1550413
(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one
CID 5468711

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one (CID 2783987) is 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one is O=C(CC1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one?
The InChIKey is UBSRQGFUSLVLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O4/c19-13-5-1-11(2-6-13)15(21)10-18(23)17(22)9-16(24-18)12-3-7-14(20)8-4-12/h1-9,23H,10H2.
What are the key properties of 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one?
5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one has a molecular weight of 363.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxyfuran-3-one is sourced from PubChem (CID 2783987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).