5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one

C19H19FO4S — CID 142769910

IUPAC5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one
SMILESCC1(C)OC(c2cccc(F)c2)C(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H19FO4S/c1-19(2)18(21)16(12-7-9-15(10-8-12)25(3,22)23)17(24-19)13-5-4-6-14(20)11-13/h4-11,16-17H,1-3H3
InChIKeyAJRNXQYPVZQEQZ-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.43
Rot. Bonds3

About 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one

5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one (PubChem CID 142769910) has the molecular formula C19H19FO4S and a molecular weight of 362.42 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one
PubChem CID142769910
Molecular FormulaC19H19FO4S
Molecular Weight362.42 g/mol
Exact Mass362.10
IUPAC Name5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one
SMILESCC1(C)OC(c2cccc(F)c2)C(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C19H19FO4S/c1-19(2)18(21)16(12-7-9-15(10-8-12)25(3,22)23)17(24-19)13-5-4-6-14(20)11-13/h4-11,16-17H,1-3H3
InChIKeyAJRNXQYPVZQEQZ-UHFFFAOYSA-N
XLogP3.43
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-difluorophenyl)-2,2-dimethyl-5-{4-(methylsulfonyl)phenyl}-3(2H)-furanone
CID 9864551
2,2-Dimethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 9884461
2,2-dimethyl-4-(3-fluorophenyl)-5-{4-(methylsulfonyl)phenyl}-3(2H)-furanone
CID 9950762
2-Ethyl-2-methyl-5-(4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]furan-3-one
CID 11339258
4-(3,4-difluorophenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)-one
CID 9842737
4-(2,5-difluorophenyl)-2,2-dimethyl-5-(4-(methylsulfonyl)phenyl)furan-3(2H)-one
CID 9864552
2,2-Dimethyl-4-[3-(trifluoromethyl)phenyl]-5-[4-(methylsulfonyl)phenyl]-2,3-dihydrofuran-3-one
CID 10024534
2-Ethyl-2-methyl-5-{4-(methylsulfonyl)phenyl}-4-phenyl-3(2h)-furanone
CID 11164138
5-(2-Fluoro-4-methylsulfonylphenyl)-4-(3-fluorophenyl)-2,2-dimethylfuran-3-one
CID 11164824
3-(3-Fluorophenyl)-2-(4-methylsulfonylphenyl)-1-oxaspiro[4.4]non-2-en-4-one
CID 11176638
3-(4-Isopropyl-phenyl)-2-{4-(methylsulfonyl)phenyl}-1-oxa-spiro[4,4]non-2-en-4-one
CID 11212036
5-(3-Fluoro-4-methylsulfonylphenyl)-2,2-dimethyl-4-phenylfuran-3-one
CID 11222135

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one?
The IUPAC name of 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one (CID 142769910) is 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one?
The canonical SMILES for 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one is CC1(C)OC(c2cccc(F)c2)C(c2ccc(S(C)(=O)=O)cc2)C1=O.
What is the InChIKey of 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one?
The InChIKey is AJRNXQYPVZQEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4S/c1-19(2)18(21)16(12-7-9-15(10-8-12)25(3,22)23)17(24-19)13-5-4-6-14(20)11-13/h4-11,16-17H,1-3H3.
What are the key properties of 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one?
5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one has a molecular weight of 362.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one is sourced from PubChem (CID 142769910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).