2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine

C20H19NOS — CID 45267684

IUPAC2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(C)cc2)c2ccccn2)cc1
InChIInChI=1S/C20H19NOS/c1-15-6-12-18(13-7-15)23-20(19-5-3-4-14-21-19)16-8-10-17(22-2)11-9-16/h3-14,20H,1-2H3
InChIKeyVGFOOJYBHQGXCF-UHFFFAOYSA-N
MW321.45 g/mol
LogP5.28
Rot. Bonds5

About 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine

2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine (PubChem CID 45267684) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine
PubChem CID45267684
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine
SMILESCOc1ccc(C(Sc2ccc(C)cc2)c2ccccn2)cc1
InChIInChI=1S/C20H19NOS/c1-15-6-12-18(13-7-15)23-20(19-5-3-4-14-21-19)16-8-10-17(22-2)11-9-16/h3-14,20H,1-2H3
InChIKeyVGFOOJYBHQGXCF-UHFFFAOYSA-N
XLogP5.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine (CID 45267684) is 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine is COc1ccc(C(Sc2ccc(C)cc2)c2ccccn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine?
The InChIKey is VGFOOJYBHQGXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15-6-12-18(13-7-15)23-20(19-5-3-4-14-21-19)16-8-10-17(22-2)11-9-16/h3-14,20H,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine?
2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine has a molecular weight of 321.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-(4-methylphenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 45267684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).