4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C15H17NO2S — CID 141495737

IUPAC4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1ccc(COCOC2NCCc3sccc32)cc1
InChIInChI=1S/C15H17NO2S/c1-2-4-12(5-3-1)10-17-11-18-15-13-7-9-19-14(13)6-8-16-15/h1-5,7,9,15-16H,6,8,10-11H2
InChIKeyMBIHBBZNOPFQSE-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.08
Rot. Bonds5

About 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 141495737) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID141495737
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESc1ccc(COCOC2NCCc3sccc32)cc1
InChIInChI=1S/C15H17NO2S/c1-2-4-12(5-3-1)10-17-11-18-15-13-7-9-19-14(13)6-8-16-15/h1-5,7,9,15-16H,6,8,10-11H2
InChIKeyMBIHBBZNOPFQSE-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 141495737) is 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is c1ccc(COCOC2NCCc3sccc32)cc1.
What is the InChIKey of 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is MBIHBBZNOPFQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-4-12(5-3-1)10-17-11-18-15-13-7-9-19-14(13)6-8-16-15/h1-5,7,9,15-16H,6,8,10-11H2.
What are the key properties of 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 275.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethoxy)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 141495737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).