3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol

C19H19FO3S — CID 18788486

IUPAC3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol
SMILESCS(=O)c1ccc(C2=C(c3cccc(F)c3)C(O)OC2(C)C)cc1
InChIInChI=1S/C19H19FO3S/c1-19(2)17(12-7-9-15(10-8-12)24(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13/h4-11,18,21H,1-3H3
InChIKeyLWTXEDKCMXATKE-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol

3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol (PubChem CID 18788486) has the molecular formula C19H19FO3S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol
PubChem CID18788486
Molecular FormulaC19H19FO3S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol
SMILESCS(=O)c1ccc(C2=C(c3cccc(F)c3)C(O)OC2(C)C)cc1
InChIInChI=1S/C19H19FO3S/c1-19(2)17(12-7-9-15(10-8-12)24(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13/h4-11,18,21H,1-3H3
InChIKeyLWTXEDKCMXATKE-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol?
The IUPAC name of 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol (CID 18788486) is 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol?
The canonical SMILES for 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol is CS(=O)c1ccc(C2=C(c3cccc(F)c3)C(O)OC2(C)C)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol?
The InChIKey is LWTXEDKCMXATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3S/c1-19(2)17(12-7-9-15(10-8-12)24(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13/h4-11,18,21H,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol?
3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol has a molecular weight of 346.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfinylphenyl)-2H-furan-2-ol is sourced from PubChem (CID 18788486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).