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

C15H11Cl2NO3 — CID 689208

IUPAC2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11Cl2NO3/c16-10-5-9(15(19)12(17)6-10)8-18-11-1-2-13-14(7-11)21-4-3-20-13/h1-2,5-8,19H,3-4H2/b18-8+
InChIKeyUTLHGWVXKFNAMM-QGMBQPNBSA-N
MW324.16 g/mol
LogP4.22
Rot. Bonds2

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

2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol (PubChem CID 689208) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
PubChem CID689208
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H11Cl2NO3/c16-10-5-9(15(19)12(17)6-10)8-18-11-1-2-13-14(7-11)21-4-3-20-13/h1-2,5-8,19H,3-4H2/b18-8+
InChIKeyUTLHGWVXKFNAMM-QGMBQPNBSA-N
XLogP4.22
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.22
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 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
The IUPAC name of 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol (CID 689208) is 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
The InChIKey is UTLHGWVXKFNAMM-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-10-5-9(15(19)12(17)6-10)8-18-11-1-2-13-14(7-11)21-4-3-20-13/h1-2,5-8,19H,3-4H2/b18-8+.
What are the key properties of 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol?
2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol has a molecular weight of 324.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2,3-dihydro-1,4-benzodioxin-6-yliminomethyl)phenol is sourced from PubChem (CID 689208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).