3-(5-sulfanylnaphthalen-1-yl)propan-1-ol

C13H14OS — CID 68643622

IUPAC3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
SMILESOCCCc1cccc2c(S)cccc12
InChIInChI=1S/C13H14OS/c14-9-3-5-10-4-1-7-12-11(10)6-2-8-13(12)15/h1-2,4,6-8,14-15H,3,5,9H2
InChIKeyWNEWZCHUJCLTKH-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.05
Rot. Bonds3

About 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol

3-(5-sulfanylnaphthalen-1-yl)propan-1-ol (PubChem CID 68643622) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
PubChem CID68643622
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name3-(5-sulfanylnaphthalen-1-yl)propan-1-ol
SMILESOCCCc1cccc2c(S)cccc12
InChIInChI=1S/C13H14OS/c14-9-3-5-10-4-1-7-12-11(10)6-2-8-13(12)15/h1-2,4,6-8,14-15H,3,5,9H2
InChIKeyWNEWZCHUJCLTKH-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
3-quinolin-4-ylpropan-1-ol
CID 21218471
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
ethane;6-[9-(6-hydroxyhexyl)perylen-3-yl]hexan-1-ol
CID 145401307
3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
CID 82161152
2-chrysen-1-ylethanol
CID 87369772
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
CID 117282266
4-tetracen-1-ylbutan-1-ol
CID 87369368
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234

Frequently Asked Questions

What is the IUPAC name of 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol?
The IUPAC name of 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol (CID 68643622) is 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol is OCCCc1cccc2c(S)cccc12.
What is the InChIKey of 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol?
The InChIKey is WNEWZCHUJCLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c14-9-3-5-10-4-1-7-12-11(10)6-2-8-13(12)15/h1-2,4,6-8,14-15H,3,5,9H2.
What are the key properties of 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol?
3-(5-sulfanylnaphthalen-1-yl)propan-1-ol has a molecular weight of 218.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-sulfanylnaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 68643622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).