1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one

C16H17NO3 — CID 115939078

IUPAC1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H17NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10H,4H2,1-3H3
InChIKeyBPOITEZWPFHZSG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.78
Rot. Bonds5

About 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one

1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one (PubChem CID 115939078) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
PubChem CID115939078
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C)cc2OC)cn1
InChIInChI=1S/C16H17NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10H,4H2,1-3H3
InChIKeyBPOITEZWPFHZSG-UHFFFAOYSA-N
XLogP3.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
CID 115940898
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127673
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
CID 112583808
methyl 5-(4-methylphenoxy)pyridine-2-carboxylate
CID 59966219
1-[5-(3-methylbut-3-enoxy)-2-pyridinyl]propan-1-one
CID 114470248
5-(ethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 104639774
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one (CID 115939078) is 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C)cc2OC)cn1.
What is the InChIKey of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one?
The InChIKey is BPOITEZWPFHZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-14(18)13-7-6-12(10-17-13)20-15-8-5-11(2)9-16(15)19-3/h5-10H,4H2,1-3H3.
What are the key properties of 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one?
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 115939078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).