4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid

C17H17NO4 — CID 57217580

IUPAC4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid
SMILESO=C(O)CC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-15-8-6-13(7-9-15)12-22-18-16(10-11-17(20)21)14-4-2-1-3-5-14/h1-10,18-19H,11-12H2,(H,20,21)
InChIKeyYYWNHLIHAVTROS-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds7

About 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid

4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid (PubChem CID 57217580) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid
PubChem CID57217580
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid
SMILESO=C(O)CC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-15-8-6-13(7-9-15)12-22-18-16(10-11-17(20)21)14-4-2-1-3-5-14/h1-10,18-19H,11-12H2,(H,20,21)
InChIKeyYYWNHLIHAVTROS-UHFFFAOYSA-N
XLogP2.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid (CID 57217580) is 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid is O=C(O)CC=C(NOCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid?
The InChIKey is YYWNHLIHAVTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-15-8-6-13(7-9-15)12-22-18-16(10-11-17(20)21)14-4-2-1-3-5-14/h1-10,18-19H,11-12H2,(H,20,21).
What are the key properties of 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid?
4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methoxyamino]-4-phenylbut-3-enoic acid is sourced from PubChem (CID 57217580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).