3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

C19H17FO5S — CID 10156369

IUPAC3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17FO5S/c1-19(2)16(12-7-9-15(10-8-12)26(3,22)23)17(18(21)25-19)24-14-6-4-5-13(20)11-14/h4-11H,1-3H3
InChIKeyNSOLEUGGZJTHNS-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.35
Rot. Bonds4

About 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 10156369) has the molecular formula C19H17FO5S and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID10156369
Molecular FormulaC19H17FO5S
Molecular Weight376.41 g/mol
Exact Mass376.08
IUPAC Name3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17FO5S/c1-19(2)16(12-7-9-15(10-8-12)26(3,22)23)17(18(21)25-19)24-14-6-4-5-13(20)11-14/h4-11H,1-3H3
InChIKeyNSOLEUGGZJTHNS-UHFFFAOYSA-N
XLogP3.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Difluoro-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 9865298
2-(5-Ethyl-4''-(methylsulfonyl)biphenyl-2-yloxy)acetic acid
CID 9884103
3-(3,4-Difluorophenoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one
CID 9908624
3-(4-Fluoro-phenoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 9929562
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenoxy-5H-furan-2-one
CID 9950669
3-(4-Fluoro-2-methyl-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 10110822
2-(4-Methanesulfonyl-phenyl)-6-methyl-3-o-tolyloxy-pyran-4-one
CID 10133741
3-(3,5-Difluoro-phenoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 10200639
3-(2,4-Difluorophenoxy)-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one
CID 10200640
3-(2-Fluoro-4-methyl-phenoxy)-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 10221859
3-(4-Chloro-phenoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 10363144
2-(3,5-Difluoro-phenoxy)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10594921

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 10156369) is 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is CC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is NSOLEUGGZJTHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO5S/c1-19(2)16(12-7-9-15(10-8-12)26(3,22)23)17(18(21)25-19)24-14-6-4-5-13(20)11-14/h4-11H,1-3H3.
What are the key properties of 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 376.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 10156369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).