4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide

C23H24O4S — CID 14985866

IUPAC4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCS(=O)(=O)CC1
InChIInChI=1S/C23H24O4S/c1-26-23(11-13-28(24,25)14-12-23)21-7-4-8-22(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
InChIKeyVRMCKLHHDJVMTA-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.47
Rot. Bonds5

About 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide

4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide (PubChem CID 14985866) has the molecular formula C23H24O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide
PubChem CID14985866
Molecular FormulaC23H24O4S
Molecular Weight396.51 g/mol
Exact Mass396.14
IUPAC Name4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCS(=O)(=O)CC1
InChIInChI=1S/C23H24O4S/c1-26-23(11-13-28(24,25)14-12-23)21-7-4-8-22(16-21)27-17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3
InChIKeyVRMCKLHHDJVMTA-UHFFFAOYSA-N
XLogP4.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide?
The IUPAC name of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide (CID 14985866) is 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide?
The canonical SMILES for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide is COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCS(=O)(=O)CC1.
What is the InChIKey of 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide?
The InChIKey is VRMCKLHHDJVMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4S/c1-26-23(11-13-28(24,25)14-12-23)21-7-4-8-22(16-21)27-17-18-9-10-19-5-2-3-6-20(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 1,1-dioxide?
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide has a molecular weight of 396.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]thiane 1,1-dioxide is sourced from PubChem (CID 14985866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).