2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate

C14H7Cl2N2O5- — CID 122232545

IUPAC2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c([O-])c(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8Cl2N2O5/c15-11-5-8(6-12(16)14(11)19)1-2-9-3-4-10(17(20)21)7-13(9)18(22)23/h1-7,19H/p-1/b2-1+
InChIKeyWAWWFQAIMQFRGO-OWOJBTEDSA-M
MW354.13 g/mol
LogP4.05
Rot. Bonds4

About 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate

2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate (PubChem CID 122232545) has the molecular formula C14H7Cl2N2O5- and a molecular weight of 354.13 g/mol. Its IUPAC name is 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate.

Molecular Properties

Compound Name2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
PubChem CID122232545
Molecular FormulaC14H7Cl2N2O5-
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
SMILESO=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c([O-])c(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H8Cl2N2O5/c15-11-5-8(6-12(16)14(11)19)1-2-9-3-4-10(17(20)21)7-13(9)18(22)23/h1-7,19H/p-1/b2-1+
InChIKeyWAWWFQAIMQFRGO-OWOJBTEDSA-M
XLogP4.05
TPSA109.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 54.05
H-Bond Donors ≤ 50
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'}

Analyze 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2-[2-(2,4-dinitrophenyl)ethenyl]anthracene-9,10-dione
CID 2749492
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
N-[2-[2-(2,4-dinitrophenyl)ethenyl]-9,10-dioxoanthracen-1-yl]acetamide
CID 2750711
2-nitro-5-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 10251961
[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 3-chlorobenzoate
CID 19171712

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate?
The IUPAC name of 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate (CID 122232545) is 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate.
What is the SMILES notation for 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate?
The canonical SMILES for 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate is O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c([O-])c(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate?
The InChIKey is WAWWFQAIMQFRGO-OWOJBTEDSA-M. The full InChI is InChI=1S/C14H8Cl2N2O5/c15-11-5-8(6-12(16)14(11)19)1-2-9-3-4-10(17(20)21)7-13(9)18(22)23/h1-7,19H/p-1/b2-1+.
What are the key properties of 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate?
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate has a molecular weight of 354.13 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate is sourced from PubChem (CID 122232545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).