2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene

C10H11NO4 — CID 688224

IUPAC2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(/C=C/[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+
InChIKeyNUMXHEUHHRTBQT-AATRIKPKSA-N
MW209.20 g/mol
LogP1.95
Rot. Bonds4

About 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene

2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene (PubChem CID 688224) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
PubChem CID688224
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(/C=C/[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+
InChIKeyNUMXHEUHHRTBQT-AATRIKPKSA-N
XLogP1.95
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene (CID 688224) is 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene is COc1ccc(/C=C/[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene?
The InChIKey is NUMXHEUHHRTBQT-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+.
What are the key properties of 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene?
2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene has a molecular weight of 209.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 688224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).