1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol

C10H12F2O4S — CID 166194503

IUPAC1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2O4S/c1-17(14,15)6-9(13)7-2-4-8(5-3-7)16-10(11)12/h2-5,9-10,13H,6H2,1H3
InChIKeySMNCQVKXIGNBRS-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.37
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol

1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol (PubChem CID 166194503) has the molecular formula C10H12F2O4S and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
PubChem CID166194503
Molecular FormulaC10H12F2O4S
Molecular Weight266.26 g/mol
Exact Mass266.04
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H12F2O4S/c1-17(14,15)6-9(13)7-2-4-8(5-3-7)16-10(11)12/h2-5,9-10,13H,6H2,1H3
InChIKeySMNCQVKXIGNBRS-UHFFFAOYSA-N
XLogP1.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
1-[4-(difluoromethoxy)phenyl]-3-methylpentan-1-ol
CID 65150516
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid
CID 79366363
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 109494821
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol (CID 166194503) is 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol?
The InChIKey is SMNCQVKXIGNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4S/c1-17(14,15)6-9(13)7-2-4-8(5-3-7)16-10(11)12/h2-5,9-10,13H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol?
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol has a molecular weight of 266.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol is sourced from PubChem (CID 166194503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).