furan-3-yl-(3-methylsulfonylphenyl)methanol

C12H12O4S — CID 115797299

IUPACfuran-3-yl-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2ccoc2)c1
InChIInChI=1S/C12H12O4S/c1-17(14,15)11-4-2-3-9(7-11)12(13)10-5-6-16-8-10/h2-8,12-13H,1H3
InChIKeyRAYKPYJJSXODFV-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.76
Rot. Bonds3

About furan-3-yl-(3-methylsulfonylphenyl)methanol

furan-3-yl-(3-methylsulfonylphenyl)methanol (PubChem CID 115797299) has the molecular formula C12H12O4S and a molecular weight of 252.29 g/mol. Its IUPAC name is furan-3-yl-(3-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Namefuran-3-yl-(3-methylsulfonylphenyl)methanol
PubChem CID115797299
Molecular FormulaC12H12O4S
Molecular Weight252.29 g/mol
Exact Mass252.05
IUPAC Namefuran-3-yl-(3-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1cccc(C(O)c2ccoc2)c1
InChIInChI=1S/C12H12O4S/c1-17(14,15)11-4-2-3-9(7-11)12(13)10-5-6-16-8-10/h2-8,12-13H,1H3
InChIKeyRAYKPYJJSXODFV-UHFFFAOYSA-N
XLogP1.76
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
3-methyl-1-(3-methylsulfonylphenyl)but-2-en-1-ol
CID 115817156
(3-ethoxyphenyl)-(furan-3-yl)methanol
CID 63948949
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61082000
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
furan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927081
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(3-methylsulfonylphenyl)methanol?
The IUPAC name of furan-3-yl-(3-methylsulfonylphenyl)methanol (CID 115797299) is furan-3-yl-(3-methylsulfonylphenyl)methanol.
What is the SMILES notation for furan-3-yl-(3-methylsulfonylphenyl)methanol?
The canonical SMILES for furan-3-yl-(3-methylsulfonylphenyl)methanol is CS(=O)(=O)c1cccc(C(O)c2ccoc2)c1.
What is the InChIKey of furan-3-yl-(3-methylsulfonylphenyl)methanol?
The InChIKey is RAYKPYJJSXODFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S/c1-17(14,15)11-4-2-3-9(7-11)12(13)10-5-6-16-8-10/h2-8,12-13H,1H3.
What are the key properties of furan-3-yl-(3-methylsulfonylphenyl)methanol?
furan-3-yl-(3-methylsulfonylphenyl)methanol has a molecular weight of 252.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(3-methylsulfonylphenyl)methanol is sourced from PubChem (CID 115797299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).