1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone

C13H16O2 — CID 62382500

IUPAC1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
SMILESC=CC(C)Oc1ccc(C)cc1C(C)=O
InChIInChI=1S/C13H16O2/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h5-8,10H,1H2,2-4H3
InChIKeyARUJOYNENLJMBB-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone

1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone (PubChem CID 62382500) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
PubChem CID62382500
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone
SMILESC=CC(C)Oc1ccc(C)cc1C(C)=O
InChIInChI=1S/C13H16O2/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h5-8,10H,1H2,2-4H3
InChIKeyARUJOYNENLJMBB-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-methyl-2-(trideuteriomethoxy)phenyl]ethanone
CID 162369564
methyl 2-but-3-en-2-yloxy-5-fluorobenzoate
CID 170553481
2-(2-but-3-en-2-yloxy-5-methylphenyl)ethanamine
CID 63326191
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
N-[(2-but-3-en-2-yloxy-5-methylphenyl)methyl]propan-2-amine
CID 63323315
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-(2-acetyl-4-methylphenyl)-2-methylpropan-1-one
CID 177054489
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
(2-acetyl-4-methylphenyl) 5-methylthiophene-2-carboxylate
CID 142757062

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone (CID 62382500) is 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone is C=CC(C)Oc1ccc(C)cc1C(C)=O.
What is the InChIKey of 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone?
The InChIKey is ARUJOYNENLJMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-5-10(3)15-13-7-6-9(2)8-12(13)11(4)14/h5-8,10H,1H2,2-4H3.
What are the key properties of 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone?
1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-en-2-yloxy-5-methylphenyl)ethanone is sourced from PubChem (CID 62382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).