3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

C14H13NO2 — CID 11673048

IUPAC3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESNc1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H13NO2/c15-14-9-13(17)8-5-11(14)4-1-10-2-6-12(16)7-3-10/h1-9,16-17H,15H2/b4-1+
InChIKeyODLRWZBETUNMBI-DAFODLJHSA-N
MW227.26 g/mol
LogP2.85
Rot. Bonds2

About 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (PubChem CID 11673048) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
PubChem CID11673048
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESNc1cc(O)ccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H13NO2/c15-14-9-13(17)8-5-11(14)4-1-10-2-6-12(16)7-3-10/h1-9,16-17H,15H2/b4-1+
InChIKeyODLRWZBETUNMBI-DAFODLJHSA-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 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (CID 11673048) is 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is Nc1cc(O)ccc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The InChIKey is ODLRWZBETUNMBI-DAFODLJHSA-N. The full InChI is InChI=1S/C14H13NO2/c15-14-9-13(17)8-5-11(14)4-1-10-2-6-12(16)7-3-10/h1-9,16-17H,15H2/b4-1+.
What are the key properties of 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol 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 3-amino-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 11673048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).