1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol

C19H18O3S — CID 102321600

IUPAC1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol
SMILESO=S(CC(O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18O3S/c20-16(14-23(21)17-9-2-1-3-10-17)13-22-19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16,20H,13-14H2
InChIKeySJPICUQHEYOLAS-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.39
Rot. Bonds6

About 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol

1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 102321600) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID102321600
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol
SMILESO=S(CC(O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18O3S/c20-16(14-23(21)17-9-2-1-3-10-17)13-22-19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16,20H,13-14H2
InChIKeySJPICUQHEYOLAS-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86215876
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
but-3-en-2-one;3-naphthalen-1-yloxypropane-1,2-diol
CID 21238595
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidin-1-ium-2-carboxylic acid
CID 110182843
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-[N-(2-hydroxyethyl)anilino]-3-naphthalen-1-yloxypropan-2-ol
CID 138959459

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol (CID 102321600) is 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol is O=S(CC(O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is SJPICUQHEYOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c20-16(14-23(21)17-9-2-1-3-10-17)13-22-19-12-6-8-15-7-4-5-11-18(15)19/h1-12,16,20H,13-14H2.
What are the key properties of 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol?
1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 326.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 102321600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).