2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol

C11H11NO4 — CID 163458136

IUPAC2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol
SMILESCO/C=C(/C1=NOCO1)c1ccccc1O
InChIInChI=1S/C11H11NO4/c1-14-6-9(11-12-16-7-15-11)8-4-2-3-5-10(8)13/h2-6,13H,7H2,1H3/b9-6+
InChIKeyBMFXVLOHHFPUAV-RMKNXTFCSA-N
MW221.21 g/mol
LogP1.70
Rot. Bonds3

About 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol

2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol (PubChem CID 163458136) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol.

Molecular Properties

Compound Name2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol
PubChem CID163458136
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol
SMILESCO/C=C(/C1=NOCO1)c1ccccc1O
InChIInChI=1S/C11H11NO4/c1-14-6-9(11-12-16-7-15-11)8-4-2-3-5-10(8)13/h2-6,13H,7H2,1H3/b9-6+
InChIKeyBMFXVLOHHFPUAV-RMKNXTFCSA-N
XLogP1.70
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol?
The IUPAC name of 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol (CID 163458136) is 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol.
What is the SMILES notation for 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol?
The canonical SMILES for 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol is CO/C=C(/C1=NOCO1)c1ccccc1O.
What is the InChIKey of 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol?
The InChIKey is BMFXVLOHHFPUAV-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H11NO4/c1-14-6-9(11-12-16-7-15-11)8-4-2-3-5-10(8)13/h2-6,13H,7H2,1H3/b9-6+.
What are the key properties of 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol?
2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol has a molecular weight of 221.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1,4,2-dioxazol-3-yl)-2-methoxyethenyl]phenol is sourced from PubChem (CID 163458136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).