4-butylsulfanylnaphthalen-1-ol

C14H16OS — CID 66756967

IUPAC4-butylsulfanylnaphthalen-1-ol
SMILESCCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H16OS/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,2-3,10H2,1H3
InChIKeyMNBIGYJOWGOYMA-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.44
Rot. Bonds4

About 4-butylsulfanylnaphthalen-1-ol

4-butylsulfanylnaphthalen-1-ol (PubChem CID 66756967) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-butylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-butylsulfanylnaphthalen-1-ol
PubChem CID66756967
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name4-butylsulfanylnaphthalen-1-ol
SMILESCCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C14H16OS/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,2-3,10H2,1H3
InChIKeyMNBIGYJOWGOYMA-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Santonox
CID 7308
4,4'-Thiodi-o-cresol
CID 618879
1-Naphthol-4-sulfonic acid
CID 6791
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
CID 448797
2-Tert-butyl-4-(3-tert-butyl-4-hydroxyphenyl)sulfanylphenol
CID 630255
4,4'-Thiobis(3-Methylphenol)
CID 674719
1-Naphthalenesulfonic acid, 4-hydroxy-, ion(1-)
CID 3010343
4,4'-Thiobis(2,5-xylenol)
CID 15800931
4-Hydroxy-2,3-dimethylphenyl thiocyanate
CID 221613
Zqsolxqzozonex-uhfffaoysa-
CID 1077196
4-(4-Hydroxyphenyl)sulfonylnaphthalen-1-ol
CID 16226213
4-(4-Hydroxyphenyl)sulfanylnaphthalen-1-ol
CID 16226629

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-butylsulfanylnaphthalen-1-ol (CID 66756967) is 4-butylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-butylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-butylsulfanylnaphthalen-1-ol is CCCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-butylsulfanylnaphthalen-1-ol?
The InChIKey is MNBIGYJOWGOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-2-3-10-16-14-9-8-13(15)11-6-4-5-7-12(11)14/h4-9,15H,2-3,10H2,1H3.
What are the key properties of 4-butylsulfanylnaphthalen-1-ol?
4-butylsulfanylnaphthalen-1-ol has a molecular weight of 232.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 66756967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).