4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol

C13H9Cl2NO2 — CID 681130

IUPAC4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-2-9(6-11(10)15)16-7-8-1-4-12(17)13(18)5-8/h1-7,17-18H/b16-7+
InChIKeyHFQBYKCWNUQDAX-FRKPEAEDSA-N
MW282.13 g/mol
LogP4.16
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol

4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol (PubChem CID 681130) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
PubChem CID681130
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C13H9Cl2NO2/c14-10-3-2-9(6-11(10)15)16-7-8-1-4-12(17)13(18)5-8/h1-7,17-18H/b16-7+
InChIKeyHFQBYKCWNUQDAX-FRKPEAEDSA-N
XLogP4.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol (CID 681130) is 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol is Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is HFQBYKCWNUQDAX-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-3-2-9(6-11(10)15)16-7-8-1-4-12(17)13(18)5-8/h1-7,17-18H/b16-7+.
What are the key properties of 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol?
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 282.13 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 681130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).