2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol

C10H12F2O4S — CID 71857007

IUPAC2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2O4S/c11-10(12)16-9-3-1-8(2-4-9)7-17(14,15)6-5-13/h1-4,10,13H,5-7H2
InChIKeyBPSIINYLBQBCJQ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.20
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol

2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol (PubChem CID 71857007) has the molecular formula C10H12F2O4S and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol
PubChem CID71857007
Molecular FormulaC10H12F2O4S
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol
SMILESO=S(=O)(CCO)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2O4S/c11-10(12)16-9-3-1-8(2-4-9)7-17(14,15)6-5-13/h1-4,10,13H,5-7H2
InChIKeyBPSIINYLBQBCJQ-UHFFFAOYSA-N
XLogP1.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol 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 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol (CID 71857007) is 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol is O=S(=O)(CCO)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol?
The InChIKey is BPSIINYLBQBCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4S/c11-10(12)16-9-3-1-8(2-4-9)7-17(14,15)6-5-13/h1-4,10,13H,5-7H2.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol?
2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol has a molecular weight of 266.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methylsulfonyl]ethanol is sourced from PubChem (CID 71857007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).