4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol

C14H12N2O4 — CID 3948761

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCCO3)c(O)c1
InChIInChI=1S/C14H12N2O4/c17-10-2-3-11(12(18)8-10)16-15-9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,17-18H,5-6H2/b16-15+
InChIKeyWSTAZLFQFPBEJK-FOCLMDBBSA-N
MW272.26 g/mol
LogP3.28
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol

4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol (PubChem CID 3948761) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol
PubChem CID3948761
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol
SMILESOc1ccc(/N=N/c2ccc3c(c2)OCCO3)c(O)c1
InChIInChI=1S/C14H12N2O4/c17-10-2-3-11(12(18)8-10)16-15-9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,17-18H,5-6H2/b16-15+
InChIKeyWSTAZLFQFPBEJK-FOCLMDBBSA-N
XLogP3.28
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol (CID 3948761) is 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol is Oc1ccc(/N=N/c2ccc3c(c2)OCCO3)c(O)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol?
The InChIKey is WSTAZLFQFPBEJK-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-10-2-3-11(12(18)8-10)16-15-9-1-4-13-14(7-9)20-6-5-19-13/h1-4,7-8,17-18H,5-6H2/b16-15+.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol?
4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol has a molecular weight of 272.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yldiazenyl)benzene-1,3-diol is sourced from PubChem (CID 3948761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).