1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene

C16H14N2O6 — CID 6263432

IUPAC1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC
InChIInChI=1S/C16H14N2O6/c1-23-15-5-3-4-12(16(15)24-2)7-6-11-8-9-13(17(19)20)10-14(11)18(21)22/h3-10H,1-2H3/b7-6+
InChIKeyTYIMHILMKDUTKI-VOTSOKGWSA-N
MW330.30 g/mol
LogP3.69
Rot. Bonds6

About 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene (PubChem CID 6263432) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
PubChem CID6263432
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Name1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC
InChIInChI=1S/C16H14N2O6/c1-23-15-5-3-4-12(16(15)24-2)7-6-11-8-9-13(17(19)20)10-14(11)18(21)22/h3-10H,1-2H3/b7-6+
InChIKeyTYIMHILMKDUTKI-VOTSOKGWSA-N
XLogP3.69
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
(3-nitrophenyl)methyl 3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 4600569
[4-[2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 23962809
N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-[(E)-2-[2-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-5-nitro-1,3-benzothiazole
CID 8861010
(E)-3-(2,4-dinitrophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 90228050
[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 3-chlorobenzoate
CID 19171712
1-(2-bromoethenyl)-2,4-dinitrobenzene
CID 73297332
6-nitro-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 8861144

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene (CID 6263432) is 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene is COc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OC.
What is the InChIKey of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene?
The InChIKey is TYIMHILMKDUTKI-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-23-15-5-3-4-12(16(15)24-2)7-6-11-8-9-13(17(19)20)10-14(11)18(21)22/h3-10H,1-2H3/b7-6+.
What are the key properties of 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene?
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene has a molecular weight of 330.30 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene is sourced from PubChem (CID 6263432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).