1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone

C13H16O3 — CID 20590669

IUPAC1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
SMILESC=CCc1c(OCOC)cccc1C(C)=O
InChIInChI=1S/C13H16O3/c1-4-6-12-11(10(2)14)7-5-8-13(12)16-9-15-3/h4-5,7-8H,1,6,9H2,2-3H3
InChIKeyFDVOTLMRQBKRIS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.60
Rot. Bonds6

About 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone

1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone (PubChem CID 20590669) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
PubChem CID20590669
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
SMILESC=CCc1c(OCOC)cccc1C(C)=O
InChIInChI=1S/C13H16O3/c1-4-6-12-11(10(2)14)7-5-8-13(12)16-9-15-3/h4-5,7-8H,1,6,9H2,2-3H3
InChIKeyFDVOTLMRQBKRIS-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
methyl 3,5-bis(methoxymethoxy)-4-prop-2-enylbenzoate
CID 59560396
1-[2-iodo-3-(methoxymethoxy)phenyl]hex-5-en-1-one
CID 100921190
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
2-ethyl-1,3-bis(methoxymethoxy)benzene
CID 141101427
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
6-[4-[2-hydroxy-4-(2-methoxyethoxy)-3-prop-2-enylphenyl]-6-[2-hydroxy-4-(methoxymethoxy)-3-prop-2-enylphenyl]-1,3,5-triazin-2-yl]-3-(2-methoxyethoxy)-2-prop-2-enylphenol
CID 135977716
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
methane;4-(methoxymethoxy)-1-(3-methoxy-2-prop-2-enylphenyl)but-2-yn-1-ol;4-(methoxymethoxy)-1-(3-methoxy-2-prop-2-enylphenyl)but-2-yn-1-one
CID 163821993
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone?
The IUPAC name of 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone (CID 20590669) is 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone?
The canonical SMILES for 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone is C=CCc1c(OCOC)cccc1C(C)=O.
What is the InChIKey of 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone?
The InChIKey is FDVOTLMRQBKRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-6-12-11(10(2)14)7-5-8-13(12)16-9-15-3/h4-5,7-8H,1,6,9H2,2-3H3.
What are the key properties of 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone?
1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone has a molecular weight of 220.27 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone is sourced from PubChem (CID 20590669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).