2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

C14H12F2O2S — CID 62000501

IUPAC2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccccc1OC(F)F
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)17/h1-8,14,17H,9H2
InChIKeyAPGAMXTVYUNXHD-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.29
Rot. Bonds5

About 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (PubChem CID 62000501) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
PubChem CID62000501
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ccccc1OC(F)F
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)17/h1-8,14,17H,9H2
InChIKeyAPGAMXTVYUNXHD-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (CID 62000501) is 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is Oc1ccccc1SCc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The InChIKey is APGAMXTVYUNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c15-14(16)18-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)17/h1-8,14,17H,9H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol has a molecular weight of 282.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 62000501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).