2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane

C13H16O3 — CID 177394932

IUPAC2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
SMILESC=CCOc1cccc(OC)c1CC1CO1
InChIInChI=1S/C13H16O3/c1-3-7-15-13-6-4-5-12(14-2)11(13)8-10-9-16-10/h3-6,10H,1,7-9H2,2H3
InChIKeyWWMGKKOXHXXLBS-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.20
Rot. Bonds6

About 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane

2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane (PubChem CID 177394932) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
PubChem CID177394932
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane
SMILESC=CCOc1cccc(OC)c1CC1CO1
InChIInChI=1S/C13H16O3/c1-3-7-15-13-6-4-5-12(14-2)11(13)8-10-9-16-10/h3-6,10H,1,7-9H2,2H3
InChIKeyWWMGKKOXHXXLBS-UHFFFAOYSA-N
XLogP2.20
TPSA30.99 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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane?
The IUPAC name of 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane (CID 177394932) is 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane?
The canonical SMILES for 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane is C=CCOc1cccc(OC)c1CC1CO1.
What is the InChIKey of 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane?
The InChIKey is WWMGKKOXHXXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-3-7-15-13-6-4-5-12(14-2)11(13)8-10-9-16-10/h3-6,10H,1,7-9H2,2H3.
What are the key properties of 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane?
2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane has a molecular weight of 220.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-6-prop-2-enoxyphenyl)methyl]oxirane is sourced from PubChem (CID 177394932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).