4-(5-methyl-1-methylsulfonylindol-2-yl)phenol

C16H15NO3S — CID 53388445

IUPAC4-(5-methyl-1-methylsulfonylindol-2-yl)phenol
SMILESCc1ccc2c(c1)cc(-c1ccc(O)cc1)n2S(C)(=O)=O
InChIInChI=1S/C16H15NO3S/c1-11-3-8-15-13(9-11)10-16(17(15)21(2,19)20)12-4-6-14(18)7-5-12/h3-10,18H,1-2H3
InChIKeyRZDAAMYOSRPWKY-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.13
Rot. Bonds2

About 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol

4-(5-methyl-1-methylsulfonylindol-2-yl)phenol (PubChem CID 53388445) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-methyl-1-methylsulfonylindol-2-yl)phenol
PubChem CID53388445
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name4-(5-methyl-1-methylsulfonylindol-2-yl)phenol
SMILESCc1ccc2c(c1)cc(-c1ccc(O)cc1)n2S(C)(=O)=O
InChIInChI=1S/C16H15NO3S/c1-11-3-8-15-13(9-11)10-16(17(15)21(2,19)20)12-4-6-14(18)7-5-12/h3-10,18H,1-2H3
InChIKeyRZDAAMYOSRPWKY-UHFFFAOYSA-N
XLogP3.13
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol?
The IUPAC name of 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol (CID 53388445) is 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol.
What is the SMILES notation for 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol?
The canonical SMILES for 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol is Cc1ccc2c(c1)cc(-c1ccc(O)cc1)n2S(C)(=O)=O.
What is the InChIKey of 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol?
The InChIKey is RZDAAMYOSRPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11-3-8-15-13(9-11)10-16(17(15)21(2,19)20)12-4-6-14(18)7-5-12/h3-10,18H,1-2H3.
What are the key properties of 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol?
4-(5-methyl-1-methylsulfonylindol-2-yl)phenol has a molecular weight of 301.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-methylsulfonylindol-2-yl)phenol is sourced from PubChem (CID 53388445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).