4-ethylsulfanylnaphthalen-1-ol

C12H12OS — CID 22916300

IUPAC4-ethylsulfanylnaphthalen-1-ol
SMILESCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C12H12OS/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8,13H,2H2,1H3
InChIKeyLFAQXOYLVNTEQJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.66
Rot. Bonds2

About 4-ethylsulfanylnaphthalen-1-ol

4-ethylsulfanylnaphthalen-1-ol (PubChem CID 22916300) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-ethylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-ethylsulfanylnaphthalen-1-ol
PubChem CID22916300
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name4-ethylsulfanylnaphthalen-1-ol
SMILESCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C12H12OS/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8,13H,2H2,1H3
InChIKeyLFAQXOYLVNTEQJ-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-ethylsulfanylnaphthalen-1-ol (CID 22916300) is 4-ethylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-ethylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-ethylsulfanylnaphthalen-1-ol is CCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-ethylsulfanylnaphthalen-1-ol?
The InChIKey is LFAQXOYLVNTEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-2-14-12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8,13H,2H2,1H3.
What are the key properties of 4-ethylsulfanylnaphthalen-1-ol?
4-ethylsulfanylnaphthalen-1-ol has a molecular weight of 204.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 22916300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).