[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol

C18H15FO2S — CID 69044611

IUPAC[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol
SMILESOCc1cc(F)ccc1Sc1ccc2ccccc2c1CO
InChIInChI=1S/C18H15FO2S/c19-14-6-8-17(13(9-14)10-20)22-18-7-5-12-3-1-2-4-15(12)16(18)11-21/h1-9,20-21H,10-11H2
InChIKeyFYVFAUZYHHQDTD-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.11
Rot. Bonds4

About [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol

[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol (PubChem CID 69044611) has the molecular formula C18H15FO2S and a molecular weight of 314.38 g/mol. Its IUPAC name is [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol
PubChem CID69044611
Molecular FormulaC18H15FO2S
Molecular Weight314.38 g/mol
Exact Mass314.08
IUPAC Name[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol
SMILESOCc1cc(F)ccc1Sc1ccc2ccccc2c1CO
InChIInChI=1S/C18H15FO2S/c19-14-6-8-17(13(9-14)10-20)22-18-7-5-12-3-1-2-4-15(12)16(18)11-21/h1-9,20-21H,10-11H2
InChIKeyFYVFAUZYHHQDTD-UHFFFAOYSA-N
XLogP4.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol?
The IUPAC name of [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol (CID 69044611) is [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol?
The canonical SMILES for [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol is OCc1cc(F)ccc1Sc1ccc2ccccc2c1CO.
What is the InChIKey of [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol?
The InChIKey is FYVFAUZYHHQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2S/c19-14-6-8-17(13(9-14)10-20)22-18-7-5-12-3-1-2-4-15(12)16(18)11-21/h1-9,20-21H,10-11H2.
What are the key properties of [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol?
[5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol has a molecular weight of 314.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[1-(hydroxymethyl)naphthalen-2-yl]sulfanylphenyl]methanol is sourced from PubChem (CID 69044611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).