3-naphthalen-1-ylsulfanylphenol

C16H12OS — CID 126704011

IUPAC3-naphthalen-1-ylsulfanylphenol
SMILESOc1cccc(Sc2cccc3ccccc23)c1
InChIInChI=1S/C16H12OS/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,17H
InChIKeyZQIZFVZNLPYOAG-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.70
Rot. Bonds2

About 3-naphthalen-1-ylsulfanylphenol

3-naphthalen-1-ylsulfanylphenol (PubChem CID 126704011) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfanylphenol.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfanylphenol
PubChem CID126704011
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name3-naphthalen-1-ylsulfanylphenol
SMILESOc1cccc(Sc2cccc3ccccc23)c1
InChIInChI=1S/C16H12OS/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,17H
InChIKeyZQIZFVZNLPYOAG-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfanylphenol?
The IUPAC name of 3-naphthalen-1-ylsulfanylphenol (CID 126704011) is 3-naphthalen-1-ylsulfanylphenol.
What is the SMILES notation for 3-naphthalen-1-ylsulfanylphenol?
The canonical SMILES for 3-naphthalen-1-ylsulfanylphenol is Oc1cccc(Sc2cccc3ccccc23)c1.
What is the InChIKey of 3-naphthalen-1-ylsulfanylphenol?
The InChIKey is ZQIZFVZNLPYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,17H.
What are the key properties of 3-naphthalen-1-ylsulfanylphenol?
3-naphthalen-1-ylsulfanylphenol has a molecular weight of 252.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfanylphenol is sourced from PubChem (CID 126704011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).