1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine

C16H17N3O2 — CID 90803675

IUPAC1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine
SMILESC#COc1cccc(C(C)=O)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C10H8O2.C6H9N3/c1-3-12-10-6-4-5-9(7-10)8(2)11;1-4-7-5(2)9-6(3)8-4/h1,4-7H,2H3;1-3H3
InChIKeyAQPJZNYYJGUNLU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.66
Rot. Bonds2

About 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine

1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 90803675) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine
PubChem CID90803675
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine
SMILESC#COc1cccc(C(C)=O)c1.Cc1nc(C)nc(C)n1
InChIInChI=1S/C10H8O2.C6H9N3/c1-3-12-10-6-4-5-9(7-10)8(2)11;1-4-7-5(2)9-6(3)8-4/h1,4-7H,2H3;1-3H3
InChIKeyAQPJZNYYJGUNLU-UHFFFAOYSA-N
XLogP2.66
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroperoxyphenyl)ethanone
CID 21289599
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
(3-acetylphenyl) carbonochloridate
CID 13097700
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
(3-acetylphenyl) dihydrogen phosphate
CID 57284655
1-(3-pent-3-yn-2-yloxyphenyl)ethanone
CID 118412024
2-(3-acetylphenoxy)-3-hydroxyprop-2-enoic acid
CID 141002958
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
(3-acetylphenyl) (2S)-2-aminopropanoate
CID 121364925

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine (CID 90803675) is 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine is C#COc1cccc(C(C)=O)c1.Cc1nc(C)nc(C)n1.
What is the InChIKey of 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is AQPJZNYYJGUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C6H9N3/c1-3-12-10-6-4-5-9(7-10)8(2)11;1-4-7-5(2)9-6(3)8-4/h1,4-7H,2H3;1-3H3.
What are the key properties of 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine?
1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 283.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethynoxyphenyl)ethanone;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 90803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).