1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one

C13H16O3 — CID 164761368

IUPAC1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one
SMILESC=C(COC)C(=O)c1ccccc1OCC
InChIInChI=1S/C13H16O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8H,2,4,9H2,1,3H3
InChIKeyYZAQDRQUEAJPAO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.47
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one

1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one (PubChem CID 164761368) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one
PubChem CID164761368
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one
SMILESC=C(COC)C(=O)c1ccccc1OCC
InChIInChI=1S/C13H16O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8H,2,4,9H2,1,3H3
InChIKeyYZAQDRQUEAJPAO-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzoic acid;zinc
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2-ethoxybenzenecarboperoxoic acid
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1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
CID 154414332
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
1-ethoxy-2-(1-phenylethenyl)benzene
CID 162347910
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one (CID 164761368) is 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one is C=C(COC)C(=O)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one?
The InChIKey is YZAQDRQUEAJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-16-12-8-6-5-7-11(12)13(14)10(2)9-15-3/h5-8H,2,4,9H2,1,3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one?
1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(methoxymethyl)prop-2-en-1-one is sourced from PubChem (CID 164761368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).