[4-(1-methylsulfonylcyclopropyl)phenyl]methanol

C11H14O3S — CID 117115761

IUPAC[4-(1-methylsulfonylcyclopropyl)phenyl]methanol
SMILESCS(=O)(=O)C1(c2ccc(CO)cc2)CC1
InChIInChI=1S/C11H14O3S/c1-15(13,14)11(6-7-11)10-4-2-9(8-12)3-5-10/h2-5,12H,6-8H2,1H3
InChIKeyPONCJADGXXSAPN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.21
Rot. Bonds3

About [4-(1-methylsulfonylcyclopropyl)phenyl]methanol

[4-(1-methylsulfonylcyclopropyl)phenyl]methanol (PubChem CID 117115761) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is [4-(1-methylsulfonylcyclopropyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-methylsulfonylcyclopropyl)phenyl]methanol
PubChem CID117115761
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name[4-(1-methylsulfonylcyclopropyl)phenyl]methanol
SMILESCS(=O)(=O)C1(c2ccc(CO)cc2)CC1
InChIInChI=1S/C11H14O3S/c1-15(13,14)11(6-7-11)10-4-2-9(8-12)3-5-10/h2-5,12H,6-8H2,1H3
InChIKeyPONCJADGXXSAPN-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-methylsulfonylcyclopropyl)phenyl]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 [4-(1-methylsulfonylcyclopropyl)phenyl]methanol?
The IUPAC name of [4-(1-methylsulfonylcyclopropyl)phenyl]methanol (CID 117115761) is [4-(1-methylsulfonylcyclopropyl)phenyl]methanol.
What is the SMILES notation for [4-(1-methylsulfonylcyclopropyl)phenyl]methanol?
The canonical SMILES for [4-(1-methylsulfonylcyclopropyl)phenyl]methanol is CS(=O)(=O)C1(c2ccc(CO)cc2)CC1.
What is the InChIKey of [4-(1-methylsulfonylcyclopropyl)phenyl]methanol?
The InChIKey is PONCJADGXXSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-15(13,14)11(6-7-11)10-4-2-9(8-12)3-5-10/h2-5,12H,6-8H2,1H3.
What are the key properties of [4-(1-methylsulfonylcyclopropyl)phenyl]methanol?
[4-(1-methylsulfonylcyclopropyl)phenyl]methanol has a molecular weight of 226.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylsulfonylcyclopropyl)phenyl]methanol is sourced from PubChem (CID 117115761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).