5-(4-chlorophenyl)-2,2-dimethylfuran-3-one

C12H11ClO2 — CID 14492343

IUPAC5-(4-chlorophenyl)-2,2-dimethylfuran-3-one
SMILESCC1(C)OC(c2ccc(Cl)cc2)=CC1=O
InChIInChI=1S/C12H11ClO2/c1-12(2)11(14)7-10(15-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyMKMDTXXWHSHEOI-UHFFFAOYSA-N
MW222.67 g/mol
LogP3.06
Rot. Bonds1

About 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one

5-(4-chlorophenyl)-2,2-dimethylfuran-3-one (PubChem CID 14492343) has the molecular formula C12H11ClO2 and a molecular weight of 222.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,2-dimethylfuran-3-one
PubChem CID14492343
Molecular FormulaC12H11ClO2
Molecular Weight222.67 g/mol
Exact Mass222.04
IUPAC Name5-(4-chlorophenyl)-2,2-dimethylfuran-3-one
SMILESCC1(C)OC(c2ccc(Cl)cc2)=CC1=O
InChIInChI=1S/C12H11ClO2/c1-12(2)11(14)7-10(15-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3
InChIKeyMKMDTXXWHSHEOI-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

Bullatenone
CID 100464
9-(4-Chlorophenyl)-6,10-dioxaspiro[4.5]dec-8-en-7-one
CID 752490
3-[(2-chloro-6-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
CID 1490067
3-(4-Chlorobenzylidene)-5-phenylfuran-2(3h)-one
CID 1551569
3-((2,4-Dichlorobenzyl)oxy)-2-methyl-4H-pyran-4-one
CID 1490084
2,6-Bis(4-chlorophenyl)-4H-pyran-4-one
CID 257574
2(3H)-Furanone, 3-(4-chlorobenzylidene)-5-(4-chlorophenyl)-
CID 5372529
(3E)-3-benzylidene-5-(4-chlorophenyl)furan-2(3H)-one
CID 712307
5-[(E)-2-(4-chlorophenyl)ethenyl]-2,2-dimethylfuran-3-one
CID 15086682
5-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2,2-dimethylfuran-3-one
CID 15086683
5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-2,2-dimethylfuran-3-one
CID 15086684
5-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,2-dimethylfuran-3-one
CID 15086685

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one?
The IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one (CID 14492343) is 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one is CC1(C)OC(c2ccc(Cl)cc2)=CC1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one?
The InChIKey is MKMDTXXWHSHEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2/c1-12(2)11(14)7-10(15-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one?
5-(4-chlorophenyl)-2,2-dimethylfuran-3-one has a molecular weight of 222.67 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,2-dimethylfuran-3-one is sourced from PubChem (CID 14492343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).