(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol

C13H14O3S2 — CID 102842447

IUPAC(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H14O3S2/c1-9-12(7-8-17-9)13(14)10-3-5-11(6-4-10)18(2,15)16/h3-8,13-14H,1-2H3
InChIKeyRDEWWHQRVDHCOQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.54
Rot. Bonds3

About (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol

(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102842447) has the molecular formula C13H14O3S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
PubChem CID102842447
Molecular FormulaC13H14O3S2
Molecular Weight282.39 g/mol
Exact Mass282.04
IUPAC Name(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H14O3S2/c1-9-12(7-8-17-9)13(14)10-3-5-11(6-4-10)18(2,15)16/h3-8,13-14H,1-2H3
InChIKeyRDEWWHQRVDHCOQ-UHFFFAOYSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol (CID 102842447) is (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is RDEWWHQRVDHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S2/c1-9-12(7-8-17-9)13(14)10-3-5-11(6-4-10)18(2,15)16/h3-8,13-14H,1-2H3.
What are the key properties of (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol?
(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 282.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102842447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).