4-[(E)-2-(4-nitrophenyl)ethenyl]phenol

C14H11NO3 — CID 759250

IUPAC4-[(E)-2-(4-nitrophenyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H/b2-1+
InChIKeyOETQWIHJPIESQB-OWOJBTEDSA-N
MW241.25 g/mol
LogP3.47
Rot. Bonds3

About 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol

4-[(E)-2-(4-nitrophenyl)ethenyl]phenol (PubChem CID 759250) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(4-nitrophenyl)ethenyl]phenol
PubChem CID759250
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name4-[(E)-2-(4-nitrophenyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H/b2-1+
InChIKeyOETQWIHJPIESQB-OWOJBTEDSA-N
XLogP3.47
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol (CID 759250) is 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol is O=[N+]([O-])c1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol?
The InChIKey is OETQWIHJPIESQB-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H/b2-1+.
What are the key properties of 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol?
4-[(E)-2-(4-nitrophenyl)ethenyl]phenol has a molecular weight of 241.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-nitrophenyl)ethenyl]phenol is sourced from PubChem (CID 759250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).