(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one

C17H17NO2 — CID 71817312

IUPAC(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(N)cc2O)cc1
InChIInChI=1S/C17H17NO2/c1-2-12-3-5-13(6-4-12)7-10-16(19)15-9-8-14(18)11-17(15)20/h3-11,20H,2,18H2,1H3/b10-7+
InChIKeyVRPWGPDXIZXSOW-JXMROGBWSA-N
MW267.33 g/mol
LogP3.43
Rot. Bonds4

About (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one

(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 71817312) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one
PubChem CID71817312
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(N)cc2O)cc1
InChIInChI=1S/C17H17NO2/c1-2-12-3-5-13(6-4-12)7-10-16(19)15-9-8-14(18)11-17(15)20/h3-11,20H,2,18H2,1H3/b10-7+
InChIKeyVRPWGPDXIZXSOW-JXMROGBWSA-N
XLogP3.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one (CID 71817312) is (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(N)cc2O)cc1.
What is the InChIKey of (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is VRPWGPDXIZXSOW-JXMROGBWSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-12-3-5-13(6-4-12)7-10-16(19)15-9-8-14(18)11-17(15)20/h3-11,20H,2,18H2,1H3/b10-7+.
What are the key properties of (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
(E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 267.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-amino-2-hydroxyphenyl)-3-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 71817312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).