[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate

C15H15NO3 — CID 91375942

IUPAC[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate
SMILESCOc1ccc(-c2ccc(C)c(OC(C)=O)n2)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-9-14(16-15(10)19-11(2)17)12-5-7-13(18-3)8-6-12/h4-9H,1-3H3
InChIKeyOBIYPGSSHUBFPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.99
Rot. Bonds3

About [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate

[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate (PubChem CID 91375942) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate
PubChem CID91375942
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate
SMILESCOc1ccc(-c2ccc(C)c(OC(C)=O)n2)cc1
InChIInChI=1S/C15H15NO3/c1-10-4-9-14(16-15(10)19-11(2)17)12-5-7-13(18-3)8-6-12/h4-9H,1-3H3
InChIKeyOBIYPGSSHUBFPO-UHFFFAOYSA-N
XLogP2.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate?
The IUPAC name of [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate (CID 91375942) is [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate.
What is the SMILES notation for [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate?
The canonical SMILES for [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate is COc1ccc(-c2ccc(C)c(OC(C)=O)n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate?
The InChIKey is OBIYPGSSHUBFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-9-14(16-15(10)19-11(2)17)12-5-7-13(18-3)8-6-12/h4-9H,1-3H3.
What are the key properties of [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate?
[6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate has a molecular weight of 257.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-3-methyl-2-pyridinyl] acetate is sourced from PubChem (CID 91375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).