naphthalen-2-yl(1,4-oxathian-2-yl)methanol

C15H16O2S — CID 79963790

IUPACnaphthalen-2-yl(1,4-oxathian-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1CSCCO1
InChIInChI=1S/C15H16O2S/c16-15(14-10-18-8-7-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2
InChIKeyKSTVDFUSOOYELQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.01
Rot. Bonds2

About naphthalen-2-yl(1,4-oxathian-2-yl)methanol

naphthalen-2-yl(1,4-oxathian-2-yl)methanol (PubChem CID 79963790) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is naphthalen-2-yl(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Namenaphthalen-2-yl(1,4-oxathian-2-yl)methanol
PubChem CID79963790
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Namenaphthalen-2-yl(1,4-oxathian-2-yl)methanol
SMILESOC(c1ccc2ccccc2c1)C1CSCCO1
InChIInChI=1S/C15H16O2S/c16-15(14-10-18-8-7-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2
InChIKeyKSTVDFUSOOYELQ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze naphthalen-2-yl(1,4-oxathian-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl(1,4-oxathian-2-yl)methanol?
The IUPAC name of naphthalen-2-yl(1,4-oxathian-2-yl)methanol (CID 79963790) is naphthalen-2-yl(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for naphthalen-2-yl(1,4-oxathian-2-yl)methanol?
The canonical SMILES for naphthalen-2-yl(1,4-oxathian-2-yl)methanol is OC(c1ccc2ccccc2c1)C1CSCCO1.
What is the InChIKey of naphthalen-2-yl(1,4-oxathian-2-yl)methanol?
The InChIKey is KSTVDFUSOOYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c16-15(14-10-18-8-7-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2.
What are the key properties of naphthalen-2-yl(1,4-oxathian-2-yl)methanol?
naphthalen-2-yl(1,4-oxathian-2-yl)methanol has a molecular weight of 260.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 79963790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).