(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one

C15H13NO2 — CID 6474695

IUPAC(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESNc1ccc(O)c(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H,16H2/b8-6+
InChIKeyPYSTWSTXHNFOJK-SOFGYWHQSA-N
MW239.27 g/mol
LogP2.87
Rot. Bonds3

About (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 6474695) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID6474695
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESNc1ccc(O)c(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C15H13NO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H,16H2/b8-6+
InChIKeyPYSTWSTXHNFOJK-SOFGYWHQSA-N
XLogP2.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one (CID 6474695) is (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one is Nc1ccc(O)c(C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is PYSTWSTXHNFOJK-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H13NO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H,16H2/b8-6+.
What are the key properties of (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 6474695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).