4-propylsulfanylnaphthalen-1-ol

C13H14OS — CID 112704905

IUPAC4-propylsulfanylnaphthalen-1-ol
SMILESCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14OS/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-8,14H,2,9H2,1H3
InChIKeyAXGAPGVEPBAUAE-UHFFFAOYSA-N
MW218.32 g/mol
LogP4.05
Rot. Bonds3

About 4-propylsulfanylnaphthalen-1-ol

4-propylsulfanylnaphthalen-1-ol (PubChem CID 112704905) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 4-propylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-propylsulfanylnaphthalen-1-ol
PubChem CID112704905
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name4-propylsulfanylnaphthalen-1-ol
SMILESCCCSc1ccc(O)c2ccccc12
InChIInChI=1S/C13H14OS/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-8,14H,2,9H2,1H3
InChIKeyAXGAPGVEPBAUAE-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propylsulfanylnaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfanylnaphthalen-1-ol?
The IUPAC name of 4-propylsulfanylnaphthalen-1-ol (CID 112704905) is 4-propylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-propylsulfanylnaphthalen-1-ol?
The canonical SMILES for 4-propylsulfanylnaphthalen-1-ol is CCCSc1ccc(O)c2ccccc12.
What is the InChIKey of 4-propylsulfanylnaphthalen-1-ol?
The InChIKey is AXGAPGVEPBAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-2-9-15-13-8-7-12(14)10-5-3-4-6-11(10)13/h3-8,14H,2,9H2,1H3.
What are the key properties of 4-propylsulfanylnaphthalen-1-ol?
4-propylsulfanylnaphthalen-1-ol has a molecular weight of 218.32 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 112704905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).