2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol

C14H14N2O2 — CID 19933281

IUPAC2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
SMILESNc1ccc(/C=C/c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C14H14N2O2/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h1-8,17-18H,15-16H2/b2-1+
InChIKeyKNUZMVPQHNIFQK-OWOJBTEDSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol

2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol (PubChem CID 19933281) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
PubChem CID19933281
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
SMILESNc1ccc(/C=C/c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C14H14N2O2/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h1-8,17-18H,15-16H2/b2-1+
InChIKeyKNUZMVPQHNIFQK-OWOJBTEDSA-N
XLogP2.43
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol (CID 19933281) is 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol is Nc1ccc(/C=C/c2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol?
The InChIKey is KNUZMVPQHNIFQK-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h1-8,17-18H,15-16H2/b2-1+.
What are the key properties of 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol?
2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol has a molecular weight of 242.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 19933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).