1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene

C13H18O2 — CID 165448136

IUPAC1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(COCCOC)c1
InChIInChI=1S/C13H18O2/c1-3-5-12-6-4-7-13(10-12)11-15-9-8-14-2/h3-4,6-7,10H,1,5,8-9,11H2,2H3
InChIKeyWOFIFNDYHSDIGS-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.58
Rot. Bonds7

About 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene

1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene (PubChem CID 165448136) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene
PubChem CID165448136
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(COCCOC)c1
InChIInChI=1S/C13H18O2/c1-3-5-12-6-4-7-13(10-12)11-15-9-8-14-2/h3-4,6-7,10H,1,5,8-9,11H2,2H3
InChIKeyWOFIFNDYHSDIGS-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
CID 159641511
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
1-butyl-3-prop-2-enylbenzene
CID 140596641
1-but-2-enyl-3-(methoxymethyl)benzene
CID 175299095
1-prop-2-enyl-3-propoxybenzene
CID 91655995
5-[4-[(3-prop-2-enylphenyl)methoxy]butyl]-6H-1,3,4-thiadiazin-2-amine
CID 135222311
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene (CID 165448136) is 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene is C=CCc1cccc(COCCOC)c1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene?
The InChIKey is WOFIFNDYHSDIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-12-6-4-7-13(10-12)11-15-9-8-14-2/h3-4,6-7,10H,1,5,8-9,11H2,2H3.
What are the key properties of 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene?
1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene has a molecular weight of 206.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene is sourced from PubChem (CID 165448136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).