2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol

C16H15NO4 — CID 3239596

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)OCCO3)c1O
InChIInChI=1S/C16H15NO4/c1-19-14-4-2-3-11(16(14)18)10-17-12-5-6-13-15(9-12)21-8-7-20-13/h2-6,9-10,18H,7-8H2,1H3/b17-10+
InChIKeyIIJBMHBXGVHQNS-LICLKQGHSA-N
MW285.30 g/mol
LogP2.92
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol

2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol (PubChem CID 3239596) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol
PubChem CID3239596
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)OCCO3)c1O
InChIInChI=1S/C16H15NO4/c1-19-14-4-2-3-11(16(14)18)10-17-12-5-6-13-15(9-12)21-8-7-20-13/h2-6,9-10,18H,7-8H2,1H3/b17-10+
InChIKeyIIJBMHBXGVHQNS-LICLKQGHSA-N
XLogP2.92
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol (CID 3239596) is 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2ccc3c(c2)OCCO3)c1O.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol?
The InChIKey is IIJBMHBXGVHQNS-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-14-4-2-3-11(16(14)18)10-17-12-5-6-13-15(9-12)21-8-7-20-13/h2-6,9-10,18H,7-8H2,1H3/b17-10+.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol?
2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol has a molecular weight of 285.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 3239596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).