2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

C14H11ClF2O2S — CID 62000142

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H11ClF2O2S/c15-10-5-6-12(19-14(16)17)9(7-10)8-20-13-4-2-1-3-11(13)18/h1-7,14,18H,8H2
InChIKeyDIBUVDXXNBEMJL-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.94
Rot. Bonds5

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (PubChem CID 62000142) has the molecular formula C14H11ClF2O2S and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
PubChem CID62000142
Molecular FormulaC14H11ClF2O2S
Molecular Weight316.76 g/mol
Exact Mass316.01
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H11ClF2O2S/c15-10-5-6-12(19-14(16)17)9(7-10)8-20-13-4-2-1-3-11(13)18/h1-7,14,18H,8H2
InChIKeyDIBUVDXXNBEMJL-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol (CID 62000142) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is Oc1ccccc1SCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
The InChIKey is DIBUVDXXNBEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2S/c15-10-5-6-12(19-14(16)17)9(7-10)8-20-13-4-2-1-3-11(13)18/h1-7,14,18H,8H2.
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol has a molecular weight of 316.76 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol is sourced from PubChem (CID 62000142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).