naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol

C20H20O2S — CID 127049608

IUPACnaphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1cccs1)C1CCOCC1
InChIInChI=1S/C20H20O2S/c21-20(19-6-3-13-23-19,17-9-11-22-12-10-17)18-8-7-15-4-1-2-5-16(15)14-18/h1-8,13-14,17,21H,9-12H2
InChIKeyWJBBGPJKRLPXHY-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.56
Rot. Bonds3

About naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol

naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol (PubChem CID 127049608) has the molecular formula C20H20O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Namenaphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol
PubChem CID127049608
Molecular FormulaC20H20O2S
Molecular Weight324.44 g/mol
Exact Mass324.12
IUPAC Namenaphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1cccs1)C1CCOCC1
InChIInChI=1S/C20H20O2S/c21-20(19-6-3-13-23-19,17-9-11-22-12-10-17)18-8-7-15-4-1-2-5-16(15)14-18/h1-8,13-14,17,21H,9-12H2
InChIKeyWJBBGPJKRLPXHY-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Oxan-4-ylidene(thiophen-2-yl)methyl]naphthalen-1-ol
CID 127049607
4-[Naphthalen-2-yl(thiophen-2-yl)methylidene]oxane
CID 127050714
2-[Oxan-4-yl(thiophen-2-yl)methyl]naphthalen-1-ol
CID 127049606
Oxan-4-yl-phenyl-thiophen-2-ylmethanol
CID 127053133
3,4-Thiophenedimethanol, 2,5-di-1-naphthalenyl-
CID 363306
[2-(4-Fluorophenyl)-4,6-di(propan-2-yl)-3-(thiophen-2-ylmethyl)phenyl]methanol
CID 22005278
1-[3-[5-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]thiophen-3-yl]-2-ethylphenyl]-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 22606909
1-[3-[5-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]thiophen-2-yl]-2-ethylphenyl]-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 22606913
1-[3-[5-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]thiophen-3-yl]-2-methylphenyl]-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 22606937
2-[2-[2-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]-4-methylthiophen-3-yl]-6-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 22606948
1-[3-[4-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]thiophen-2-yl]-2-methylphenyl]-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 22606952
1-[3-[5-[2-[3,4-Bis(hydroxymethyl)phenyl]ethyl]thiophen-2-yl]-2-methylphenyl]-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 22606959

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol (CID 127049608) is naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol is OC(c1ccc2ccccc2c1)(c1cccs1)C1CCOCC1.
What is the InChIKey of naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol?
The InChIKey is WJBBGPJKRLPXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c21-20(19-6-3-13-23-19,17-9-11-22-12-10-17)18-8-7-15-4-1-2-5-16(15)14-18/h1-8,13-14,17,21H,9-12H2.
What are the key properties of naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol?
naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol has a molecular weight of 324.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(oxan-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 127049608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).