[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol

C13H9Cl2FOS — CID 63812756

IUPAC[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol
SMILESOCc1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9Cl2FOS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,17H,7H2
InChIKeyBKZGLLGRYIWPHG-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.78
Rot. Bonds3

About [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol

[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol (PubChem CID 63812756) has the molecular formula C13H9Cl2FOS and a molecular weight of 303.19 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol
PubChem CID63812756
Molecular FormulaC13H9Cl2FOS
Molecular Weight303.19 g/mol
Exact Mass301.97
IUPAC Name[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol
SMILESOCc1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C13H9Cl2FOS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,17H,7H2
InChIKeyBKZGLLGRYIWPHG-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
[3-fluoro-4-(2-fluorophenyl)sulfanylphenyl]methanol
CID 63814866
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzonitrile
CID 43657535
(3,4-difluorophenyl)methanol
CID 522833
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818247
[5-(2,5-dichlorophenyl)sulfanylthiophen-2-yl]methanol
CID 107365195
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
2-(2,5-dichlorophenyl)sulfanyl-6-fluoroaniline
CID 54920833
[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604417

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol (CID 63812756) is [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol is OCc1ccc(Sc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol?
The InChIKey is BKZGLLGRYIWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FOS/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-6,17H,7H2.
What are the key properties of [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol?
[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol has a molecular weight of 303.19 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methanol is sourced from PubChem (CID 63812756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).