1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol

C16H16F2O4S — CID 71858076

IUPAC1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H16F2O4S/c1-11(19)13-3-2-4-14(9-13)22-10-12-5-7-15(8-6-12)23(20,21)16(17)18/h2-9,11,16,19H,10H2,1H3
InChIKeyOACLXYCNSDOJHI-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.32
Rot. Bonds6

About 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol

1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol (PubChem CID 71858076) has the molecular formula C16H16F2O4S and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol
PubChem CID71858076
Molecular FormulaC16H16F2O4S
Molecular Weight342.36 g/mol
Exact Mass342.07
IUPAC Name1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol
SMILESCC(O)c1cccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H16F2O4S/c1-11(19)13-3-2-4-14(9-13)22-10-12-5-7-15(8-6-12)23(20,21)16(17)18/h2-9,11,16,19H,10H2,1H3
InChIKeyOACLXYCNSDOJHI-UHFFFAOYSA-N
XLogP3.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol (CID 71858076) is 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol is CC(O)c1cccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol?
The InChIKey is OACLXYCNSDOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O4S/c1-11(19)13-3-2-4-14(9-13)22-10-12-5-7-15(8-6-12)23(20,21)16(17)18/h2-9,11,16,19H,10H2,1H3.
What are the key properties of 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol?
1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol has a molecular weight of 342.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(difluoromethylsulfonyl)phenyl]methoxy]phenyl]ethanol is sourced from PubChem (CID 71858076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).