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

C15H13NO3 — CID 964824

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H13NO3/c17-13-4-1-11(2-5-13)10-16-12-3-6-14-15(9-12)19-8-7-18-14/h1-6,9-10,17H,7-8H2/b16-10+
InChIKeyZMWCGEQLRXZTED-MHWRWJLKSA-N
MW255.27 g/mol
LogP2.91
Rot. Bonds2

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

4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol (PubChem CID 964824) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
PubChem CID964824
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
SMILESOc1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H13NO3/c17-13-4-1-11(2-5-13)10-16-12-3-6-14-15(9-12)19-8-7-18-14/h1-6,9-10,17H,7-8H2/b16-10+
InChIKeyZMWCGEQLRXZTED-MHWRWJLKSA-N
XLogP2.91
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)phenol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol (CID 964824) is 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol is Oc1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
The InChIKey is ZMWCGEQLRXZTED-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO3/c17-13-4-1-11(2-5-13)10-16-12-3-6-14-15(9-12)19-8-7-18-14/h1-6,9-10,17H,7-8H2/b16-10+.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol has a molecular weight of 255.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol is sourced from PubChem (CID 964824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).