3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine

C16H15NOS — CID 70251166

IUPAC3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine
SMILESC1=C(OCc2ccccc2)CNC(c2cccs2)=C1
InChIInChI=1S/C16H15NOS/c1-2-5-13(6-3-1)12-18-14-8-9-15(17-11-14)16-7-4-10-19-16/h1-10,17H,11-12H2
InChIKeyQVDFNWRTIWIYSA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.79
Rot. Bonds4

About 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine

3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine (PubChem CID 70251166) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine
PubChem CID70251166
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine
SMILESC1=C(OCc2ccccc2)CNC(c2cccs2)=C1
InChIInChI=1S/C16H15NOS/c1-2-5-13(6-3-1)12-18-14-8-9-15(17-11-14)16-7-4-10-19-16/h1-10,17H,11-12H2
InChIKeyQVDFNWRTIWIYSA-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine?
The IUPAC name of 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine (CID 70251166) is 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine?
The canonical SMILES for 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine is C1=C(OCc2ccccc2)CNC(c2cccs2)=C1.
What is the InChIKey of 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine?
The InChIKey is QVDFNWRTIWIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-5-13(6-3-1)12-18-14-8-9-15(17-11-14)16-7-4-10-19-16/h1-10,17H,11-12H2.
What are the key properties of 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine?
3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine has a molecular weight of 269.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-thiophen-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 70251166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).