2-benzyl-4-(trifluoromethylsulfanyl)phenol

C14H11F3OS — CID 135066175

IUPAC2-benzyl-4-(trifluoromethylsulfanyl)phenol
SMILESOc1ccc(SC(F)(F)F)cc1Cc1ccccc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)19-12-6-7-13(18)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2
InChIKeyGUUMGDJSPZXXHZ-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.59
Rot. Bonds3

About 2-benzyl-4-(trifluoromethylsulfanyl)phenol

2-benzyl-4-(trifluoromethylsulfanyl)phenol (PubChem CID 135066175) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-benzyl-4-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name2-benzyl-4-(trifluoromethylsulfanyl)phenol
PubChem CID135066175
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name2-benzyl-4-(trifluoromethylsulfanyl)phenol
SMILESOc1ccc(SC(F)(F)F)cc1Cc1ccccc1
InChIInChI=1S/C14H11F3OS/c15-14(16,17)19-12-6-7-13(18)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2
InChIKeyGUUMGDJSPZXXHZ-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 2-benzyl-4-(trifluoromethylsulfanyl)phenol (CID 135066175) is 2-benzyl-4-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 2-benzyl-4-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 2-benzyl-4-(trifluoromethylsulfanyl)phenol is Oc1ccc(SC(F)(F)F)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(trifluoromethylsulfanyl)phenol?
The InChIKey is GUUMGDJSPZXXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c15-14(16,17)19-12-6-7-13(18)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,18H,8H2.
What are the key properties of 2-benzyl-4-(trifluoromethylsulfanyl)phenol?
2-benzyl-4-(trifluoromethylsulfanyl)phenol has a molecular weight of 284.30 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 135066175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).