2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane

C13H16O3 — CID 56607199

IUPAC2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
SMILESCC=Cc1cccc(OCC2CO2)c1OC
InChIInChI=1S/C13H16O3/c1-3-5-10-6-4-7-12(13(10)14-2)16-9-11-8-15-11/h3-7,11H,8-9H2,1-2H3
InChIKeyQECJWWZEIMWJHZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.51
Rot. Bonds5

About 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane

2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane (PubChem CID 56607199) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
PubChem CID56607199
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane
SMILESCC=Cc1cccc(OCC2CO2)c1OC
InChIInChI=1S/C13H16O3/c1-3-5-10-6-4-7-12(13(10)14-2)16-9-11-8-15-11/h3-7,11H,8-9H2,1-2H3
InChIKeyQECJWWZEIMWJHZ-UHFFFAOYSA-N
XLogP2.51
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole
CID 19958695
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[(1,2-dimethyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
CID 58590244
1-(2-chlorophenoxy)-2-methoxy-3-[(Z)-prop-1-enyl]benzene
CID 70519497
2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
CID 151780237
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane (CID 56607199) is 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane is CC=Cc1cccc(OCC2CO2)c1OC.
What is the InChIKey of 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane?
The InChIKey is QECJWWZEIMWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-5-10-6-4-7-12(13(10)14-2)16-9-11-8-15-11/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane?
2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane has a molecular weight of 220.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-prop-1-enylphenoxy)methyl]oxirane is sourced from PubChem (CID 56607199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).