1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone

C13H16O3 — CID 62029110

IUPAC1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C13H16O3/c1-4-7-16-9-12(14)11-6-5-10(2)8-13(11)15-3/h4-6,8H,1,7,9H2,2-3H3
InChIKeyUUPJVQWYFMXBPD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.39
Rot. Bonds6

About 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone

1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone (PubChem CID 62029110) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
PubChem CID62029110
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
SMILESC=CCOCC(=O)c1ccc(C)cc1OC
InChIInChI=1S/C13H16O3/c1-4-7-16-9-12(14)11-6-5-10(2)8-13(11)15-3/h4-6,8H,1,7,9H2,2-3H3
InChIKeyUUPJVQWYFMXBPD-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
2-but-3-enoxy-1-(2,4-dimethylphenyl)ethanone
CID 62031383
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 62032361
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 112786507
1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone (CID 62029110) is 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone is C=CCOCC(=O)c1ccc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone?
The InChIKey is UUPJVQWYFMXBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-7-16-9-12(14)11-6-5-10(2)8-13(11)15-3/h4-6,8H,1,7,9H2,2-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone?
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone has a molecular weight of 220.27 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone is sourced from PubChem (CID 62029110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).