4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol

C19H18O3S — CID 19981814

IUPAC4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
SMILESOc1ccc(SCC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O3S/c20-15-8-10-17(11-9-15)23-13-16(21)12-22-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16,20-21H,12-13H2
InChIKeyOAGQSDRBSRWZRV-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.08
Rot. Bonds6

About 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol

4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol (PubChem CID 19981814) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol.

Molecular Properties

Compound Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
PubChem CID19981814
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
SMILESOc1ccc(SCC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O3S/c20-15-8-10-17(11-9-15)23-13-16(21)12-22-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16,20-21H,12-13H2
InChIKeyOAGQSDRBSRWZRV-UHFFFAOYSA-N
XLogP4.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981788
4-(2-hydroxy-3-methoxypropyl)sulfanylphenol
CID 63930264
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
4-[3-(3,4-dimethoxyphenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981837
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium chloride
CID 43834240
1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
CID 170687383
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol?
The IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol (CID 19981814) is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol.
What is the SMILES notation for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol?
The canonical SMILES for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol is Oc1ccc(SCC(O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol?
The InChIKey is OAGQSDRBSRWZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c20-15-8-10-17(11-9-15)23-13-16(21)12-22-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,16,20-21H,12-13H2.
What are the key properties of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol?
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol has a molecular weight of 326.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol is sourced from PubChem (CID 19981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).