5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol

C14H13NO2 — CID 46191176

IUPAC5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol
SMILESNc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H13NO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H,15H2/b2-1+
InChIKeyMDUTXYLPODCITG-OWOJBTEDSA-N
MW227.26 g/mol
LogP2.85
Rot. Bonds2

About 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol

5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol (PubChem CID 46191176) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol
PubChem CID46191176
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol
SMILESNc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H13NO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H,15H2/b2-1+
InChIKeyMDUTXYLPODCITG-OWOJBTEDSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol (CID 46191176) is 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol is Nc1ccc(/C=C/c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is MDUTXYLPODCITG-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H13NO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H,15H2/b2-1+.
What are the key properties of 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol?
5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-aminophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 46191176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).