[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol

C14H13FOS — CID 63836021

IUPAC[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
SMILESCc1ccccc1Sc1ccc(F)cc1CO
InChIInChI=1S/C14H13FOS/c1-10-4-2-3-5-13(10)17-14-7-6-12(15)8-11(14)9-16/h2-8,16H,9H2,1H3
InChIKeyFJBNXYKTNPURLZ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.78
Rot. Bonds3

About [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol

[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol (PubChem CID 63836021) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
PubChem CID63836021
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol
SMILESCc1ccccc1Sc1ccc(F)cc1CO
InChIInChI=1S/C14H13FOS/c1-10-4-2-3-5-13(10)17-14-7-6-12(15)8-11(14)9-16/h2-8,16H,9H2,1H3
InChIKeyFJBNXYKTNPURLZ-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol
CID 69044611
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 114055364
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
CID 172616532
CID 172616532
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
CID 91306893
CID 91306893
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
CID 63814008

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol?
The IUPAC name of [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol (CID 63836021) is [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol is Cc1ccccc1Sc1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol?
The InChIKey is FJBNXYKTNPURLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-10-4-2-3-5-13(10)17-14-7-6-12(15)8-11(14)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol?
[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol has a molecular weight of 248.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2-methylphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63836021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).