4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol

C14H11NO4 — CID 11579751

IUPAC4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C14H11NO4/c16-13-8-5-11(9-14(13)17)2-1-10-3-6-12(7-4-10)15(18)19/h1-9,16-17H/b2-1+
InChIKeyFGGZCJNZCOJBGW-OWOJBTEDSA-N
MW257.25 g/mol
LogP3.18
Rot. Bonds3

About 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol

4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol (PubChem CID 11579751) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol
PubChem CID11579751
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(O)c2)cc1
InChIInChI=1S/C14H11NO4/c16-13-8-5-11(9-14(13)17)2-1-10-3-6-12(7-4-10)15(18)19/h1-9,16-17H/b2-1+
InChIKeyFGGZCJNZCOJBGW-OWOJBTEDSA-N
XLogP3.18
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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]benzene-1,2-diol?
The IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol (CID 11579751) is 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol is O=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(O)c2)cc1.
What is the InChIKey of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol?
The InChIKey is FGGZCJNZCOJBGW-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13-8-5-11(9-14(13)17)2-1-10-3-6-12(7-4-10)15(18)19/h1-9,16-17H/b2-1+.
What are the key properties of 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol?
4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol has a molecular weight of 257.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-nitrophenyl)ethenyl]benzene-1,2-diol is sourced from PubChem (CID 11579751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).