(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol

C20H20F2O4S — CID 140988958

IUPAC(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol
SMILESCC1(C)OCC(C(O)c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H20F2O4S/c1-20(2)18(12-4-7-14(8-5-12)27(3,24)25)15(11-26-20)19(23)13-6-9-16(21)17(22)10-13/h4-10,19,23H,11H2,1-3H3
InChIKeyFUZJQLWWPRMQHI-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.66
Rot. Bonds4

About (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol

(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol (PubChem CID 140988958) has the molecular formula C20H20F2O4S and a molecular weight of 394.44 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol
PubChem CID140988958
Molecular FormulaC20H20F2O4S
Molecular Weight394.44 g/mol
Exact Mass394.11
IUPAC Name(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol
SMILESCC1(C)OCC(C(O)c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H20F2O4S/c1-20(2)18(12-4-7-14(8-5-12)27(3,24)25)15(11-26-20)19(23)13-6-9-16(21)17(22)10-13/h4-10,19,23H,11H2,1-3H3
InChIKeyFUZJQLWWPRMQHI-UHFFFAOYSA-N
XLogP3.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol (CID 140988958) is (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol is CC1(C)OCC(C(O)c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol?
The InChIKey is FUZJQLWWPRMQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O4S/c1-20(2)18(12-4-7-14(8-5-12)27(3,24)25)15(11-26-20)19(23)13-6-9-16(21)17(22)10-13/h4-10,19,23H,11H2,1-3H3.
What are the key properties of (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol?
(3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol has a molecular weight of 394.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-3-yl]methanol is sourced from PubChem (CID 140988958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).