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

C16H15NO4 — CID 927282

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1O
InChIInChI=1S/C16H15NO4/c1-19-15-8-11(2-4-13(15)18)10-17-12-3-5-14-16(9-12)21-7-6-20-14/h2-5,8-10,18H,6-7H2,1H3/b17-10+
InChIKeyCSQIEHIGXFKNDW-LICLKQGHSA-N
MW285.30 g/mol
LogP2.92
Rot. Bonds3

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

4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol (PubChem CID 927282) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol
PubChem CID927282
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol
SMILESCOc1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1O
InChIInChI=1S/C16H15NO4/c1-19-15-8-11(2-4-13(15)18)10-17-12-3-5-14-16(9-12)21-7-6-20-14/h2-5,8-10,18H,6-7H2,1H3/b17-10+
InChIKeyCSQIEHIGXFKNDW-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 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol (CID 927282) is 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol is COc1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1O.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol?
The InChIKey is CSQIEHIGXFKNDW-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-15-8-11(2-4-13(15)18)10-17-12-3-5-14-16(9-12)21-7-6-20-14/h2-5,8-10,18H,6-7H2,1H3/b17-10+.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol?
4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-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 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)-2-methoxyphenol is sourced from PubChem (CID 927282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).