4-(2-fluorophenyl)sulfanylphenol

C12H9FOS — CID 91875605

IUPAC4-(2-fluorophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C12H9FOS/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8,14H
InChIKeyPIUQOVXJZUEVSV-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.68
Rot. Bonds2

About 4-(2-fluorophenyl)sulfanylphenol

4-(2-fluorophenyl)sulfanylphenol (PubChem CID 91875605) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanylphenol
PubChem CID91875605
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name4-(2-fluorophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C12H9FOS/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8,14H
InChIKeyPIUQOVXJZUEVSV-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
4-(4-amino-2-fluorophenyl)sulfanylphenol
CID 91879702
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-2-fluorobenzene
CID 133425004
4-[2,2,2-trifluoro-1-[2-(4-fluorophenyl)sulfanylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol
CID 67057408
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63805247
2-(2-fluorophenyl)sulfanylpyrimidine
CID 91491747
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63806640
3-(2-fluorophenyl)sulfanylbenzoic acid
CID 102823756
2-fluoro-6-phenylsulfanylbenzoic acid
CID 75356227
4-(3-fluorophenyl)sulfanylphenol
CID 91875611
4-[2-[2-[2-(4-hydroxyphenyl)sulfanylphenyl]-3-phenylphenyl]phenyl]sulfanylphenol
CID 70593978
2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 54911187

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanylphenol?
The IUPAC name of 4-(2-fluorophenyl)sulfanylphenol (CID 91875605) is 4-(2-fluorophenyl)sulfanylphenol.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanylphenol?
The canonical SMILES for 4-(2-fluorophenyl)sulfanylphenol is Oc1ccc(Sc2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanylphenol?
The InChIKey is PIUQOVXJZUEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8,14H.
What are the key properties of 4-(2-fluorophenyl)sulfanylphenol?
4-(2-fluorophenyl)sulfanylphenol has a molecular weight of 220.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanylphenol is sourced from PubChem (CID 91875605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).