4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane

C23H24O2S — CID 14985864

IUPAC4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCSCC1
InChIInChI=1S/C23H24O2S/c1-24-23(11-13-26-14-12-23)21-7-4-8-22(16-21)25-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
InChIKeyFEARIPFMQMUIBM-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.79
Rot. Bonds5

About 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane

4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane (PubChem CID 14985864) has the molecular formula C23H24O2S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane.

Molecular Properties

Compound Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane
PubChem CID14985864
Molecular FormulaC23H24O2S
Molecular Weight364.51 g/mol
Exact Mass364.15
IUPAC Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCSCC1
InChIInChI=1S/C23H24O2S/c1-24-23(11-13-26-14-12-23)21-7-4-8-22(16-21)25-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
InChIKeyFEARIPFMQMUIBM-UHFFFAOYSA-N
XLogP5.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane?
The IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane (CID 14985864) is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane.
What is the SMILES notation for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane?
The canonical SMILES for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane is COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCSCC1.
What is the InChIKey of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane?
The InChIKey is FEARIPFMQMUIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2S/c1-24-23(11-13-26-14-12-23)21-7-4-8-22(16-21)25-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane?
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane has a molecular weight of 364.51 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane is sourced from PubChem (CID 14985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).