5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol

C14H11NO4 — CID 68740509

IUPAC5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H11NO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-17H
InChIKeyJJNQRIBTBNZQBJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.18
Rot. Bonds3

About 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol

5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol (PubChem CID 68740509) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
PubChem CID68740509
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H11NO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-17H
InChIKeyJJNQRIBTBNZQBJ-UHFFFAOYSA-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
[(E)-2-(4-nitrophenyl)ethenyl]boronic acid
CID 6031418
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzenesulfonic acid
CID 173073405
4-nitrophenol
CID 88714583
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
1-[(E)-2-hydroxysulfanylethenyl]-4-nitrobenzene
CID 143668181

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol (CID 68740509) is 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol is O=[N+]([O-])c1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is JJNQRIBTBNZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-17H.
What are the key properties of 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol?
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-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 5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 68740509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).