3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one

C17H12Cl2O3 — CID 54721464

IUPAC3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)OC(=O)C(c2cc(Cl)ccc2Cl)=C1O
InChIInChI=1S/C17H12Cl2O3/c1-17(10-5-3-2-4-6-10)15(20)14(16(21)22-17)12-9-11(18)7-8-13(12)19/h2-9,20H,1H3
InChIKeyXDIGZSDGJYOVTR-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.73
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one

3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one (PubChem CID 54721464) has the molecular formula C17H12Cl2O3 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
PubChem CID54721464
Molecular FormulaC17H12Cl2O3
Molecular Weight335.19 g/mol
Exact Mass334.02
IUPAC Name3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
SMILESCC1(c2ccccc2)OC(=O)C(c2cc(Cl)ccc2Cl)=C1O
InChIInChI=1S/C17H12Cl2O3/c1-17(10-5-3-2-4-6-10)15(20)14(16(21)22-17)12-9-11(18)7-8-13(12)19/h2-9,20H,1H3
InChIKeyXDIGZSDGJYOVTR-UHFFFAOYSA-N
XLogP4.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one?
The IUPAC name of 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one (CID 54721464) is 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one?
The canonical SMILES for 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one is CC1(c2ccccc2)OC(=O)C(c2cc(Cl)ccc2Cl)=C1O.
What is the InChIKey of 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one?
The InChIKey is XDIGZSDGJYOVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O3/c1-17(10-5-3-2-4-6-10)15(20)14(16(21)22-17)12-9-11(18)7-8-13(12)19/h2-9,20H,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one?
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one has a molecular weight of 335.19 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 54721464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).