4-(oxan-4-ylsulfanyl)naphthalen-1-ol

C15H16O2S — CID 112596088

IUPAC4-(oxan-4-ylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SC2CCOCC2)c2ccccc12
InChIInChI=1S/C15H16O2S/c16-14-5-6-15(13-4-2-1-3-12(13)14)18-11-7-9-17-10-8-11/h1-6,11,16H,7-10H2
InChIKeyBXASRMTWYTXDON-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.82
Rot. Bonds2

About 4-(oxan-4-ylsulfanyl)naphthalen-1-ol

4-(oxan-4-ylsulfanyl)naphthalen-1-ol (PubChem CID 112596088) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)naphthalen-1-ol
PubChem CID112596088
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name4-(oxan-4-ylsulfanyl)naphthalen-1-ol
SMILESOc1ccc(SC2CCOCC2)c2ccccc12
InChIInChI=1S/C15H16O2S/c16-14-5-6-15(13-4-2-1-3-12(13)14)18-11-7-9-17-10-8-11/h1-6,11,16H,7-10H2
InChIKeyBXASRMTWYTXDON-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)naphthalen-1-ol?
The IUPAC name of 4-(oxan-4-ylsulfanyl)naphthalen-1-ol (CID 112596088) is 4-(oxan-4-ylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)naphthalen-1-ol is Oc1ccc(SC2CCOCC2)c2ccccc12.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)naphthalen-1-ol?
The InChIKey is BXASRMTWYTXDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-14-5-6-15(13-4-2-1-3-12(13)14)18-11-7-9-17-10-8-11/h1-6,11,16H,7-10H2.
What are the key properties of 4-(oxan-4-ylsulfanyl)naphthalen-1-ol?
4-(oxan-4-ylsulfanyl)naphthalen-1-ol has a molecular weight of 260.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 112596088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).