4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol

C14H9ClN2O5 — CID 6083825

IUPAC4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN2O5/c15-11-4-6-14(18)10(7-11)2-1-9-3-5-12(16(19)20)8-13(9)17(21)22/h1-8,18H/b2-1+
InChIKeyKMRRNHLOEVIPRB-OWOJBTEDSA-N
MW320.69 g/mol
LogP4.03
Rot. Bonds4

About 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol

4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol (PubChem CID 6083825) has the molecular formula C14H9ClN2O5 and a molecular weight of 320.69 g/mol. Its IUPAC name is 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
PubChem CID6083825
Molecular FormulaC14H9ClN2O5
Molecular Weight320.69 g/mol
Exact Mass320.02
IUPAC Name4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClN2O5/c15-11-4-6-14(18)10(7-11)2-1-9-3-5-12(16(19)20)8-13(9)17(21)22/h1-8,18H/b2-1+
InChIKeyKMRRNHLOEVIPRB-OWOJBTEDSA-N
XLogP4.03
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.69
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
CID 122232545
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
1-[2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 54507727
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805
azane;2,4-dinitrophenol;hydrate
CID 174664401
4-chloro-2-nitro-1-[(E)-prop-1-enyl]benzene
CID 57056957
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
CID 10712090
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol (CID 6083825) is 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol is O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)ccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol?
The InChIKey is KMRRNHLOEVIPRB-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H9ClN2O5/c15-11-4-6-14(18)10(7-11)2-1-9-3-5-12(16(19)20)8-13(9)17(21)22/h1-8,18H/b2-1+.
What are the key properties of 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol?
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol has a molecular weight of 320.69 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol is sourced from PubChem (CID 6083825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).