3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol

C14H16O2S — CID 123107319

IUPAC3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
SMILESO=S(CCCO)Cc1cccc2ccccc12
InChIInChI=1S/C14H16O2S/c15-9-4-10-17(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15H,4,9-11H2
InChIKeyDTDGJTHIKZTVBF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.47
Rot. Bonds5

About 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol

3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol (PubChem CID 123107319) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
PubChem CID123107319
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol
SMILESO=S(CCCO)Cc1cccc2ccccc12
InChIInChI=1S/C14H16O2S/c15-9-4-10-17(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15H,4,9-11H2
InChIKeyDTDGJTHIKZTVBF-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(naphthalen-1-ylmethylsulfinyl)propane-1-sulfonamide
CID 75424555
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-methyl-5-[3-(naphthalen-1-ylmethylsulfinyl)propyl]-1,3,4-oxadiazole
CID 75508400
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401
2,6-dimethyl-3-(naphthalen-1-ylmethylsulfinylmethyl)pyridine
CID 167777125
2-(naphthalen-1-ylmethylsulfinyl)-N-propylacetamide
CID 47024696
2-chloro-5-(naphthalen-1-ylmethylsulfinylmethyl)thiophene
CID 75414313
4-(naphthalen-1-ylmethylsulfonyl)butan-1-ol
CID 167770478
ethane;2-naphthalen-1-ylethanol
CID 145119048
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
CID 57419547
CID 57419547

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol?
The IUPAC name of 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol (CID 123107319) is 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol.
What is the SMILES notation for 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol?
The canonical SMILES for 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol is O=S(CCCO)Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol?
The InChIKey is DTDGJTHIKZTVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-9-4-10-17(16)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-3,5-8,15H,4,9-11H2.
What are the key properties of 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol?
3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylsulfinyl)propan-1-ol is sourced from PubChem (CID 123107319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).