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

C13H11NO3 — CID 720491

IUPAC4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/N=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C13H11NO3/c15-11-4-2-10(3-5-11)14-8-9-1-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+
InChIKeyBPPUBTDIFQTARU-RIYZIHGNSA-N
MW229.24 g/mol
LogP2.55
Rot. Bonds2

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

4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 720491) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol
PubChem CID720491
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol
SMILESOc1ccc(/N=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C13H11NO3/c15-11-4-2-10(3-5-11)14-8-9-1-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+
InChIKeyBPPUBTDIFQTARU-RIYZIHGNSA-N
XLogP2.55
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol (CID 720491) is 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol is Oc1ccc(/N=C/c2ccc(O)c(O)c2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is BPPUBTDIFQTARU-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-4-2-10(3-5-11)14-8-9-1-6-12(16)13(17)7-9/h1-8,15-17H/b14-8+.
What are the key properties of 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol?
4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 229.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 720491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).