3-(methylsulfonylmethyl)-1-benzofuran-7-ol

C10H10O4S — CID 117181008

IUPAC3-(methylsulfonylmethyl)-1-benzofuran-7-ol
SMILESCS(=O)(=O)Cc1coc2c(O)cccc12
InChIInChI=1S/C10H10O4S/c1-15(12,13)6-7-5-14-10-8(7)3-2-4-9(10)11/h2-5,11H,6H2,1H3
InChIKeyPWMSFBDGVXSJLI-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.68
Rot. Bonds2

About 3-(methylsulfonylmethyl)-1-benzofuran-7-ol

3-(methylsulfonylmethyl)-1-benzofuran-7-ol (PubChem CID 117181008) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-1-benzofuran-7-ol
PubChem CID117181008
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name3-(methylsulfonylmethyl)-1-benzofuran-7-ol
SMILESCS(=O)(=O)Cc1coc2c(O)cccc12
InChIInChI=1S/C10H10O4S/c1-15(12,13)6-7-5-14-10-8(7)3-2-4-9(10)11/h2-5,11H,6H2,1H3
InChIKeyPWMSFBDGVXSJLI-UHFFFAOYSA-N
XLogP1.68
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methylsulfonylmethyl)-1-benzofuran-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
[3-(propan-2-ylsulfonylmethyl)-1-benzofuran-7-yl]methanamine
CID 117180942
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
CID 84696625
(7-methyl-1-benzofuran-3-yl)methyl methanesulfonate
CID 90300126
6-methyl-3-(methylsulfonylmethyl)-1-benzofuran
CID 117185515
1-benzofuran-3-ylmethanesulfonic acid
CID 18415250
5-bromo-2-(methylsulfonylmethyl)phenol
CID 117219435
actinium;3-(2-hydroxy-5,5-diphenylpentyl)-1-benzofuran-7-ol
CID 20708355
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401
2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 15908539
7-(methylsulfonylmethyl)-2,1-benzoxazole
CID 90817262
2-(7-butan-2-yl-1-benzofuran-3-yl)acetic acid
CID 81037273

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-1-benzofuran-7-ol?
The IUPAC name of 3-(methylsulfonylmethyl)-1-benzofuran-7-ol (CID 117181008) is 3-(methylsulfonylmethyl)-1-benzofuran-7-ol.
What is the SMILES notation for 3-(methylsulfonylmethyl)-1-benzofuran-7-ol?
The canonical SMILES for 3-(methylsulfonylmethyl)-1-benzofuran-7-ol is CS(=O)(=O)Cc1coc2c(O)cccc12.
What is the InChIKey of 3-(methylsulfonylmethyl)-1-benzofuran-7-ol?
The InChIKey is PWMSFBDGVXSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-15(12,13)6-7-5-14-10-8(7)3-2-4-9(10)11/h2-5,11H,6H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)-1-benzofuran-7-ol?
3-(methylsulfonylmethyl)-1-benzofuran-7-ol has a molecular weight of 226.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-1-benzofuran-7-ol is sourced from PubChem (CID 117181008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).